NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
420166 | 2eed | 10163 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2eed save_distance_constraint_statistics_1 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 1 _Distance_constraint_stats_list.Constraint_count 2057 _Distance_constraint_stats_list.Viol_count 359 _Distance_constraint_stats_list.Viol_total 61.811 _Distance_constraint_stats_list.Viol_max 0.095 _Distance_constraint_stats_list.Viol_rms 0.0016 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0001 _Distance_constraint_stats_list.Viol_average_violations_only 0.0086 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 8 SER 0.065 0.030 19 0 "[ . 1 . 2]" 1 9 SER 0.067 0.030 19 0 "[ . 1 . 2]" 1 10 ASP 0.000 0.000 19 0 "[ . 1 . 2]" 1 11 ALA 0.002 0.002 3 0 "[ . 1 . 2]" 1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 13 LYS 0.085 0.020 1 0 "[ . 1 . 2]" 1 14 VAL 0.001 0.001 17 0 "[ . 1 . 2]" 1 15 THR 0.000 0.000 13 0 "[ . 1 . 2]" 1 16 SER 0.010 0.006 16 0 "[ . 1 . 2]" 1 17 LYS 0.018 0.006 12 0 "[ . 1 . 2]" 1 18 GLY 0.002 0.002 15 0 "[ . 1 . 2]" 1 19 ALA 0.017 0.010 15 0 "[ . 1 . 2]" 1 20 GLY 0.034 0.027 15 0 "[ . 1 . 2]" 1 21 LEU 0.166 0.083 15 0 "[ . 1 . 2]" 1 22 SER 0.094 0.083 15 0 "[ . 1 . 2]" 1 23 LYS 0.108 0.044 10 0 "[ . 1 . 2]" 1 24 ALA 0.053 0.029 20 0 "[ . 1 . 2]" 1 25 PHE 0.196 0.044 10 0 "[ . 1 . 2]" 1 26 VAL 0.015 0.014 20 0 "[ . 1 . 2]" 1 27 GLY 0.002 0.002 4 0 "[ . 1 . 2]" 1 28 GLN 0.079 0.042 20 0 "[ . 1 . 2]" 1 29 LYS 0.040 0.011 14 0 "[ . 1 . 2]" 1 30 SER 0.009 0.004 20 0 "[ . 1 . 2]" 1 31 SER 0.024 0.011 15 0 "[ . 1 . 2]" 1 32 PHE 0.011 0.005 20 0 "[ . 1 . 2]" 1 33 LEU 0.039 0.021 11 0 "[ . 1 . 2]" 1 34 VAL 0.039 0.021 11 0 "[ . 1 . 2]" 1 35 ASP 0.001 0.001 13 0 "[ . 1 . 2]" 1 36 CYS 0.002 0.002 18 0 "[ . 1 . 2]" 1 37 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 38 LYS 0.026 0.021 12 0 "[ . 1 . 2]" 1 39 ALA 0.005 0.002 15 0 "[ . 1 . 2]" 1 40 GLY 0.375 0.069 3 0 "[ . 1 . 2]" 1 41 SER 0.375 0.069 3 0 "[ . 1 . 2]" 1 42 ASN 0.068 0.057 19 0 "[ . 1 . 2]" 1 43 MET 0.035 0.011 8 0 "[ . 1 . 2]" 1 44 LEU 0.052 0.026 8 0 "[ . 1 . 2]" 1 45 LEU 0.125 0.026 8 0 "[ . 1 . 2]" 1 46 ILE 0.067 0.015 8 0 "[ . 1 . 2]" 1 47 GLY 0.076 0.018 19 0 "[ . 1 . 2]" 1 48 VAL 0.095 0.025 19 0 "[ . 1 . 2]" 1 49 HIS 0.093 0.025 19 0 "[ . 1 . 2]" 1 50 GLY 0.010 0.004 7 0 "[ . 1 . 2]" 1 51 PRO 0.056 0.018 12 0 "[ . 1 . 2]" 1 52 THR 0.013 0.007 7 0 "[ . 1 . 2]" 1 53 THR 0.315 0.065 5 0 "[ . 1 . 2]" 1 54 PRO 0.286 0.065 5 0 "[ . 1 . 2]" 1 55 CYS 0.103 0.024 18 0 "[ . 1 . 2]" 1 56 GLU 0.318 0.095 18 0 "[ . 1 . 2]" 1 57 GLU 0.332 0.051 19 0 "[ . 1 . 2]" 1 58 VAL 0.178 0.051 19 0 "[ . 1 . 2]" 1 59 SER 0.009 0.003 16 0 "[ . 1 . 2]" 1 60 MET 0.057 0.015 18 0 "[ . 1 . 2]" 1 61 LYS 0.207 0.062 15 0 "[ . 1 . 2]" 1 62 HIS 0.045 0.022 14 0 "[ . 1 . 2]" 1 63 VAL 0.001 0.001 11 0 "[ . 1 . 2]" 1 64 GLY 0.000 0.000 11 0 "[ . 1 . 2]" 1 65 ASN 0.001 0.001 13 0 "[ . 1 . 2]" 1 66 GLN 0.003 0.002 18 0 "[ . 1 . 2]" 1 67 GLN 0.005 0.002 18 0 "[ . 1 . 2]" 1 68 TYR 0.002 0.001 18 0 "[ . 1 . 2]" 1 69 ASN 0.007 0.002 18 0 "[ . 1 . 2]" 1 70 VAL 0.061 0.011 19 0 "[ . 1 . 2]" 1 71 THR 0.067 0.011 19 0 "[ . 1 . 2]" 1 72 TYR 0.178 0.024 14 0 "[ . 1 . 2]" 1 73 VAL 0.160 0.024 14 0 "[ . 1 . 2]" 1 74 VAL 0.007 0.006 4 0 "[ . 1 . 2]" 1 75 LYS 0.060 0.031 13 0 "[ . 1 . 2]" 1 76 GLU 0.005 0.004 3 0 "[ . 1 . 2]" 1 77 ARG 0.008 0.006 6 0 "[ . 1 . 2]" 1 78 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 79 ASP 0.001 0.001 4 0 "[ . 1 . 2]" 1 80 TYR 0.002 0.002 11 0 "[ . 1 . 2]" 1 81 VAL 0.003 0.002 13 0 "[ . 1 . 2]" 1 82 LEU 0.001 0.001 19 0 "[ . 1 . 2]" 1 83 ALA 0.005 0.003 11 0 "[ . 1 . 2]" 1 84 VAL 0.001 0.001 14 0 "[ . 1 . 2]" 1 85 LYS 0.011 0.006 4 0 "[ . 1 . 2]" 1 86 TRP 0.013 0.007 19 0 "[ . 1 . 2]" 1 87 GLY 0.012 0.003 13 0 "[ . 1 . 2]" 1 88 GLU 0.011 0.005 19 0 "[ . 1 . 2]" 1 89 GLU 0.009 0.005 19 0 "[ . 1 . 2]" 1 90 HIS 0.044 0.028 13 0 "[ . 1 . 2]" 1 91 ILE 0.048 0.028 13 0 "[ . 1 . 2]" 1 92 PRO 0.010 0.002 8 0 "[ . 1 . 2]" 1 93 GLY 0.001 0.001 20 0 "[ . 1 . 2]" 1 94 SER 0.089 0.016 17 0 "[ . 1 . 2]" 1 95 PRO 0.000 0.000 17 0 "[ . 1 . 2]" 1 96 PHE 0.001 0.001 14 0 "[ . 1 . 2]" 1 97 HIS 0.001 0.001 3 0 "[ . 1 . 2]" 1 98 VAL 0.006 0.002 11 0 "[ . 1 . 2]" 1 99 THR 0.001 0.001 1 0 "[ . 1 . 2]" 1 100 VAL 0.001 0.001 18 0 "[ . 1 . 2]" 1 101 PRO 0.003 0.003 4 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 8 SER HA 1 9 SER H . . 3.310 2.375 2.137 3.328 0.018 16 0 "[ . 1 . 2]" 1 2 1 8 SER QB 1 9 SER H . . 3.880 3.596 2.536 3.910 0.030 19 0 "[ . 1 . 2]" 1 3 1 9 SER H 1 9 SER HB2 . . 4.100 3.088 2.438 4.031 . 0 0 "[ . 1 . 2]" 1 4 1 9 SER H 1 9 SER QB . . 3.520 2.703 2.331 3.322 . 0 0 "[ . 1 . 2]" 1 5 1 9 SER H 1 9 SER HB3 . . 4.100 3.406 2.362 3.896 . 0 0 "[ . 1 . 2]" 1 6 1 9 SER HA 1 10 ASP H . . 3.100 2.158 2.137 2.233 . 0 0 "[ . 1 . 2]" 1 7 1 9 SER HA 1 40 GLY H . . 5.170 4.657 4.176 5.083 . 0 0 "[ . 1 . 2]" 1 8 1 9 SER HA 1 40 GLY HA2 . . 4.930 3.778 3.000 4.666 . 0 0 "[ . 1 . 2]" 1 9 1 9 SER HA 1 40 GLY HA3 . . 4.100 2.422 2.052 2.993 . 0 0 "[ . 1 . 2]" 1 10 1 9 SER HA 1 41 SER H . . 5.270 3.631 2.711 4.164 . 0 0 "[ . 1 . 2]" 1 11 1 9 SER HA 1 86 TRP HE1 . . 3.930 3.449 3.078 3.837 . 0 0 "[ . 1 . 2]" 1 12 1 9 SER QB 1 10 ASP H . . 3.730 3.309 2.846 3.584 . 0 0 "[ . 1 . 2]" 1 13 1 9 SER QB 1 41 SER H . . 4.050 3.428 2.257 3.956 . 0 0 "[ . 1 . 2]" 1 14 1 9 SER QB 1 42 ASN HB3 . . 3.880 3.436 2.989 3.828 . 0 0 "[ . 1 . 2]" 1 15 1 9 SER QB 1 42 ASN QD . . 3.620 2.350 1.981 3.310 . 0 0 "[ . 1 . 2]" 1 16 1 9 SER QB 1 86 TRP HD1 . . 4.160 3.935 3.522 4.155 . 0 0 "[ . 1 . 2]" 1 17 1 9 SER QB 1 86 TRP HE1 . . 3.330 2.340 1.971 2.833 . 0 0 "[ . 1 . 2]" 1 18 1 9 SER HB2 1 10 ASP H . . 4.570 3.951 3.236 4.407 . 0 0 "[ . 1 . 2]" 1 19 1 9 SER HB2 1 41 SER H . . 4.740 4.320 3.313 4.726 . 0 0 "[ . 1 . 2]" 1 20 1 9 SER HB2 1 42 ASN HB2 . . 4.290 2.732 2.014 3.441 . 0 0 "[ . 1 . 2]" 1 21 1 9 SER HB2 1 42 ASN HB3 . . 4.540 3.967 3.103 4.538 . 0 0 "[ . 1 . 2]" 1 22 1 9 SER HB2 1 42 ASN HD21 . . 4.670 2.790 2.047 4.638 . 0 0 "[ . 1 . 2]" 1 23 1 9 SER HB2 1 42 ASN HD22 . . 4.670 3.588 2.173 4.661 . 0 0 "[ . 1 . 2]" 1 24 1 9 SER HB3 1 10 ASP H . . 4.570 3.767 2.943 4.451 . 0 0 "[ . 1 . 2]" 1 25 1 9 SER HB3 1 41 SER H . . 4.740 3.626 2.291 4.305 . 0 0 "[ . 1 . 2]" 1 26 1 9 SER HB3 1 42 ASN HB2 . . 4.290 2.551 2.053 3.234 . 0 0 "[ . 1 . 2]" 1 27 1 9 SER HB3 1 42 ASN HB3 . . 4.540 4.002 3.179 4.504 . 0 0 "[ . 1 . 2]" 1 28 1 9 SER HB3 1 42 ASN HD21 . . 4.670 3.124 2.272 4.223 . 0 0 "[ . 1 . 2]" 1 29 1 9 SER HB3 1 42 ASN HD22 . . 4.670 4.138 3.228 4.672 0.002 3 0 "[ . 1 . 2]" 1 30 1 10 ASP H 1 10 ASP HB2 . . 3.940 2.499 2.325 2.815 . 0 0 "[ . 1 . 2]" 1 31 1 10 ASP H 1 10 ASP HB3 . . 3.940 3.241 2.714 3.688 . 0 0 "[ . 1 . 2]" 1 32 1 10 ASP H 1 11 ALA H . . 4.710 4.480 4.299 4.548 . 0 0 "[ . 1 . 2]" 1 33 1 10 ASP H 1 39 ALA HA . . 4.450 3.469 2.871 3.994 . 0 0 "[ . 1 . 2]" 1 34 1 10 ASP H 1 39 ALA MB . . 4.340 3.525 2.803 4.105 . 0 0 "[ . 1 . 2]" 1 35 1 10 ASP H 1 40 GLY HA3 . . 4.590 3.598 3.056 4.171 . 0 0 "[ . 1 . 2]" 1 36 1 10 ASP H 1 86 TRP HD1 . . 4.680 4.462 4.238 4.663 . 0 0 "[ . 1 . 2]" 1 37 1 10 ASP H 1 86 TRP HE1 . . 3.690 3.035 2.719 3.235 . 0 0 "[ . 1 . 2]" 1 38 1 10 ASP HA 1 11 ALA H . . 2.930 2.214 2.140 2.277 . 0 0 "[ . 1 . 2]" 1 39 1 10 ASP HA 1 11 ALA MB . . 4.080 3.954 3.902 4.000 . 0 0 "[ . 1 . 2]" 1 40 1 10 ASP HA 1 12 SER H . . 4.260 4.065 3.812 4.257 . 0 0 "[ . 1 . 2]" 1 41 1 10 ASP QB 1 11 ALA H . . 3.950 3.219 2.749 3.813 . 0 0 "[ . 1 . 2]" 1 42 1 10 ASP QB 1 11 ALA MB . . 5.270 4.608 4.318 4.968 . 0 0 "[ . 1 . 2]" 1 43 1 10 ASP QB 1 12 SER H . . 4.950 3.523 2.986 4.362 . 0 0 "[ . 1 . 2]" 1 44 1 10 ASP QB 1 13 LYS H . . 4.570 2.894 2.667 3.310 . 0 0 "[ . 1 . 2]" 1 45 1 10 ASP QB 1 13 LYS QD . . 5.180 3.938 3.552 4.323 . 0 0 "[ . 1 . 2]" 1 46 1 10 ASP QB 1 13 LYS QG . . 3.700 2.164 1.918 2.358 . 0 0 "[ . 1 . 2]" 1 47 1 10 ASP QB 1 39 ALA HA . . 4.190 3.390 2.963 3.846 . 0 0 "[ . 1 . 2]" 1 48 1 10 ASP HB2 1 11 ALA H . . 4.660 4.227 4.043 4.473 . 0 0 "[ . 1 . 2]" 1 49 1 10 ASP HB2 1 13 LYS HG2 . . 5.120 3.223 2.614 3.983 . 0 0 "[ . 1 . 2]" 1 50 1 10 ASP HB2 1 13 LYS HG3 . . 5.120 3.336 2.585 4.416 . 0 0 "[ . 1 . 2]" 1 51 1 10 ASP HB2 1 39 ALA HA . . 4.860 4.012 3.021 4.849 . 0 0 "[ . 1 . 2]" 1 52 1 10 ASP HB2 1 86 TRP HE1 . . 5.500 5.134 4.578 5.500 0.000 19 0 "[ . 1 . 2]" 1 53 1 10 ASP HB3 1 11 ALA H . . 4.660 3.367 2.797 4.134 . 0 0 "[ . 1 . 2]" 1 54 1 10 ASP HB3 1 13 LYS HG2 . . 5.120 2.359 2.000 2.647 . 0 0 "[ . 1 . 2]" 1 55 1 10 ASP HB3 1 13 LYS HG3 . . 5.120 3.164 2.557 3.711 . 0 0 "[ . 1 . 2]" 1 56 1 10 ASP HB3 1 39 ALA HA . . 4.860 4.039 3.125 4.860 . 0 0 "[ . 1 . 2]" 1 57 1 10 ASP HB3 1 86 TRP HE1 . . 5.500 5.232 4.845 5.498 . 0 0 "[ . 1 . 2]" 1 58 1 11 ALA H 1 11 ALA MB . . 3.020 2.273 2.129 2.333 . 0 0 "[ . 1 . 2]" 1 59 1 11 ALA H 1 12 SER H . . 3.390 2.327 2.183 2.596 . 0 0 "[ . 1 . 2]" 1 60 1 11 ALA H 1 13 LYS H . . 4.880 3.892 3.740 4.196 . 0 0 "[ . 1 . 2]" 1 61 1 11 ALA H 1 86 TRP HD1 . . 3.990 3.233 2.770 3.476 . 0 0 "[ . 1 . 2]" 1 62 1 11 ALA H 1 89 GLU HB2 . . 5.060 4.504 4.118 4.701 . 0 0 "[ . 1 . 2]" 1 63 1 11 ALA H 1 89 GLU HB3 . . 5.120 4.191 3.899 4.462 . 0 0 "[ . 1 . 2]" 1 64 1 11 ALA HA 1 13 LYS H . . 4.720 3.727 3.508 3.984 . 0 0 "[ . 1 . 2]" 1 65 1 11 ALA HA 1 14 VAL H . . 3.990 3.057 2.934 3.173 . 0 0 "[ . 1 . 2]" 1 66 1 11 ALA HA 1 14 VAL HB . . 4.660 2.953 2.766 3.314 . 0 0 "[ . 1 . 2]" 1 67 1 11 ALA HA 1 14 VAL MG2 . . 3.540 2.276 1.802 2.617 . 0 0 "[ . 1 . 2]" 1 68 1 11 ALA HA 1 39 ALA MB . . 4.180 3.706 3.495 3.919 . 0 0 "[ . 1 . 2]" 1 69 1 11 ALA HA 1 86 TRP HB2 . . 4.290 3.860 3.479 4.138 . 0 0 "[ . 1 . 2]" 1 70 1 11 ALA HA 1 86 TRP QB . . 3.690 2.928 2.546 3.075 . 0 0 "[ . 1 . 2]" 1 71 1 11 ALA HA 1 86 TRP HB3 . . 4.290 3.036 2.617 3.205 . 0 0 "[ . 1 . 2]" 1 72 1 11 ALA HA 1 86 TRP HD1 . . 3.500 2.069 2.000 2.266 . 0 0 "[ . 1 . 2]" 1 73 1 11 ALA HA 1 86 TRP HE1 . . 5.040 3.817 3.605 4.037 . 0 0 "[ . 1 . 2]" 1 74 1 11 ALA HA 1 89 GLU HB2 . . 4.830 4.617 4.350 4.801 . 0 0 "[ . 1 . 2]" 1 75 1 11 ALA HA 1 89 GLU HB3 . . 5.260 4.871 4.654 5.106 . 0 0 "[ . 1 . 2]" 1 76 1 11 ALA HA 1 91 ILE MG . . 4.310 3.773 3.537 3.962 . 0 0 "[ . 1 . 2]" 1 77 1 11 ALA MB 1 12 SER H . . 3.560 2.617 2.488 2.808 . 0 0 "[ . 1 . 2]" 1 78 1 11 ALA MB 1 12 SER HA . . 4.190 3.782 3.692 3.864 . 0 0 "[ . 1 . 2]" 1 79 1 11 ALA MB 1 14 VAL H . . 4.280 4.209 4.144 4.271 . 0 0 "[ . 1 . 2]" 1 80 1 11 ALA MB 1 14 VAL MG2 . . 3.910 3.520 2.951 3.811 . 0 0 "[ . 1 . 2]" 1 81 1 11 ALA MB 1 86 TRP H . . 3.860 3.660 3.443 3.819 . 0 0 "[ . 1 . 2]" 1 82 1 11 ALA MB 1 86 TRP HB2 . . 3.840 3.453 2.948 3.811 . 0 0 "[ . 1 . 2]" 1 83 1 11 ALA MB 1 86 TRP QB . . 3.170 2.197 1.914 2.453 . 0 0 "[ . 1 . 2]" 1 84 1 11 ALA MB 1 86 TRP HB3 . . 3.840 2.223 1.934 2.484 . 0 0 "[ . 1 . 2]" 1 85 1 11 ALA MB 1 86 TRP HD1 . . 3.600 2.408 2.170 2.581 . 0 0 "[ . 1 . 2]" 1 86 1 11 ALA MB 1 86 TRP HE1 . . 4.760 4.592 4.393 4.754 . 0 0 "[ . 1 . 2]" 1 87 1 11 ALA MB 1 89 GLU H . . 5.030 4.756 4.641 4.928 . 0 0 "[ . 1 . 2]" 1 88 1 11 ALA MB 1 89 GLU HB2 . . 3.300 2.374 2.185 2.669 . 0 0 "[ . 1 . 2]" 1 89 1 11 ALA MB 1 89 GLU HB3 . . 3.270 2.247 2.098 2.388 . 0 0 "[ . 1 . 2]" 1 90 1 11 ALA MB 1 89 GLU HG2 . . 4.230 4.101 3.935 4.232 0.002 3 0 "[ . 1 . 2]" 1 91 1 11 ALA MB 1 89 GLU HG3 . . 4.030 3.893 3.745 4.013 . 0 0 "[ . 1 . 2]" 1 92 1 11 ALA MB 1 90 HIS H . . 4.030 3.189 3.034 3.338 . 0 0 "[ . 1 . 2]" 1 93 1 11 ALA MB 1 91 ILE HA . . 3.710 2.268 2.130 2.451 . 0 0 "[ . 1 . 2]" 1 94 1 11 ALA MB 1 91 ILE MG . . 3.580 2.997 2.649 3.326 . 0 0 "[ . 1 . 2]" 1 95 1 11 ALA MB 1 92 PRO HD2 . . 4.190 3.892 3.764 4.044 . 0 0 "[ . 1 . 2]" 1 96 1 11 ALA MB 1 92 PRO HD3 . . 4.960 3.074 2.824 3.257 . 0 0 "[ . 1 . 2]" 1 97 1 12 SER H 1 12 SER QB . . 3.090 2.325 2.157 2.541 . 0 0 "[ . 1 . 2]" 1 98 1 12 SER H 1 13 LYS H . . 3.230 2.750 2.637 2.799 . 0 0 "[ . 1 . 2]" 1 99 1 12 SER H 1 14 VAL H . . 4.700 4.231 3.979 4.471 . 0 0 "[ . 1 . 2]" 1 100 1 12 SER H 1 89 GLU HB3 . . 5.420 5.303 5.168 5.390 . 0 0 "[ . 1 . 2]" 1 101 1 12 SER HA 1 14 VAL H . . 4.840 4.303 4.044 4.536 . 0 0 "[ . 1 . 2]" 1 102 1 12 SER HA 1 91 ILE HA . . 4.490 4.232 4.113 4.359 . 0 0 "[ . 1 . 2]" 1 103 1 12 SER HA 1 92 PRO HD3 . . 4.340 2.073 2.003 2.212 . 0 0 "[ . 1 . 2]" 1 104 1 12 SER HA 1 92 PRO HG2 . . 3.940 3.670 3.614 3.778 . 0 0 "[ . 1 . 2]" 1 105 1 12 SER HA 1 92 PRO QG . . 3.340 2.032 1.989 2.158 . 0 0 "[ . 1 . 2]" 1 106 1 12 SER HA 1 92 PRO HG3 . . 3.940 2.042 1.999 2.171 . 0 0 "[ . 1 . 2]" 1 107 1 12 SER QB 1 13 LYS H . . 3.990 2.912 2.736 3.121 . 0 0 "[ . 1 . 2]" 1 108 1 12 SER QB 1 92 PRO QB . . 5.040 3.844 3.549 4.319 . 0 0 "[ . 1 . 2]" 1 109 1 12 SER QB 1 92 PRO QG . . 5.350 3.688 3.395 4.044 . 0 0 "[ . 1 . 2]" 1 110 1 13 LYS H 1 13 LYS HB2 . . 3.070 2.502 2.433 2.563 . 0 0 "[ . 1 . 2]" 1 111 1 13 LYS H 1 13 LYS HB3 . . 3.640 3.618 3.601 3.646 0.006 9 0 "[ . 1 . 2]" 1 112 1 13 LYS H 1 13 LYS QD . . 3.510 3.468 3.374 3.511 0.001 4 0 "[ . 1 . 2]" 1 113 1 13 LYS H 1 13 LYS QE . . 4.920 4.669 4.203 4.901 . 0 0 "[ . 1 . 2]" 1 114 1 13 LYS H 1 13 LYS HG2 . . 4.030 2.306 2.191 2.525 . 0 0 "[ . 1 . 2]" 1 115 1 13 LYS H 1 13 LYS QG . . 3.320 2.284 2.173 2.495 . 0 0 "[ . 1 . 2]" 1 116 1 13 LYS H 1 13 LYS HG3 . . 4.030 3.704 3.593 3.901 . 0 0 "[ . 1 . 2]" 1 117 1 13 LYS H 1 14 VAL H . . 3.050 2.391 2.264 2.476 . 0 0 "[ . 1 . 2]" 1 118 1 13 LYS H 1 14 VAL HB . . 4.780 4.524 4.311 4.730 . 0 0 "[ . 1 . 2]" 1 119 1 13 LYS H 1 14 VAL MG2 . . 4.220 3.927 3.556 4.155 . 0 0 "[ . 1 . 2]" 1 120 1 13 LYS H 1 39 ALA HA . . 4.370 4.267 4.060 4.372 0.002 15 0 "[ . 1 . 2]" 1 121 1 13 LYS H 1 39 ALA MB . . 4.430 4.154 3.611 4.418 . 0 0 "[ . 1 . 2]" 1 122 1 13 LYS HA 1 13 LYS HD2 . . 3.760 2.426 1.999 3.030 . 0 0 "[ . 1 . 2]" 1 123 1 13 LYS HA 1 13 LYS QD . . 3.160 2.048 1.988 2.183 . 0 0 "[ . 1 . 2]" 1 124 1 13 LYS HA 1 13 LYS HD3 . . 3.760 2.810 2.050 3.705 . 0 0 "[ . 1 . 2]" 1 125 1 13 LYS HA 1 13 LYS QE . . 4.230 3.766 2.969 4.185 . 0 0 "[ . 1 . 2]" 1 126 1 13 LYS HA 1 13 LYS HG2 . . 3.960 3.107 3.063 3.160 . 0 0 "[ . 1 . 2]" 1 127 1 13 LYS HA 1 13 LYS QG . . 3.340 2.969 2.935 2.998 . 0 0 "[ . 1 . 2]" 1 128 1 13 LYS HA 1 13 LYS HG3 . . 3.960 3.774 3.699 3.818 . 0 0 "[ . 1 . 2]" 1 129 1 13 LYS HB2 1 14 VAL H . . 4.030 2.802 2.556 3.050 . 0 0 "[ . 1 . 2]" 1 130 1 13 LYS HB2 1 39 ALA H . . 4.690 4.252 3.372 4.684 . 0 0 "[ . 1 . 2]" 1 131 1 13 LYS HB2 1 39 ALA HA . . 3.710 2.041 1.998 2.234 . 0 0 "[ . 1 . 2]" 1 132 1 13 LYS HB2 1 39 ALA MB . . 3.630 2.802 2.148 3.071 . 0 0 "[ . 1 . 2]" 1 133 1 13 LYS HB3 1 13 LYS QD . . 3.610 2.522 2.306 2.876 . 0 0 "[ . 1 . 2]" 1 134 1 13 LYS HB3 1 13 LYS QE . . 4.020 3.151 2.020 4.024 0.004 8 0 "[ . 1 . 2]" 1 135 1 13 LYS HB3 1 14 VAL H . . 4.520 3.850 3.684 4.031 . 0 0 "[ . 1 . 2]" 1 136 1 13 LYS HB3 1 39 ALA H . . 4.730 4.279 3.351 4.731 0.001 4 0 "[ . 1 . 2]" 1 137 1 13 LYS HB3 1 39 ALA HA . . 4.220 2.968 2.439 3.430 . 0 0 "[ . 1 . 2]" 1 138 1 13 LYS HB3 1 39 ALA MB . . 4.200 3.702 3.188 4.162 . 0 0 "[ . 1 . 2]" 1 139 1 13 LYS QE 1 13 LYS HG2 . . 3.370 2.919 2.394 3.390 0.020 1 0 "[ . 1 . 2]" 1 140 1 13 LYS QE 1 13 LYS QG . . 2.840 2.208 2.103 2.293 . 0 0 "[ . 1 . 2]" 1 141 1 13 LYS QE 1 13 LYS HG3 . . 3.370 2.322 2.226 2.452 . 0 0 "[ . 1 . 2]" 1 142 1 13 LYS QG 1 14 VAL H . . 4.910 4.045 3.906 4.156 . 0 0 "[ . 1 . 2]" 1 143 1 13 LYS QG 1 39 ALA HA . . 4.120 3.036 2.506 3.237 . 0 0 "[ . 1 . 2]" 1 144 1 13 LYS HG2 1 39 ALA HA . . 4.690 3.945 3.552 4.115 . 0 0 "[ . 1 . 2]" 1 145 1 13 LYS HG3 1 39 ALA HA . . 4.690 3.160 2.562 3.386 . 0 0 "[ . 1 . 2]" 1 146 1 14 VAL H 1 14 VAL HB . . 2.900 2.445 2.348 2.582 . 0 0 "[ . 1 . 2]" 1 147 1 14 VAL H 1 14 VAL MG1 . . 4.120 3.745 3.716 3.764 . 0 0 "[ . 1 . 2]" 1 148 1 14 VAL H 1 14 VAL MG2 . . 3.040 2.280 1.964 2.556 . 0 0 "[ . 1 . 2]" 1 149 1 14 VAL H 1 15 THR H . . 4.730 4.545 4.445 4.617 . 0 0 "[ . 1 . 2]" 1 150 1 14 VAL H 1 15 THR MG . . 5.500 4.686 4.497 4.870 . 0 0 "[ . 1 . 2]" 1 151 1 14 VAL H 1 39 ALA HA . . 4.520 4.108 3.820 4.399 . 0 0 "[ . 1 . 2]" 1 152 1 14 VAL H 1 39 ALA MB . . 3.620 3.033 2.657 3.378 . 0 0 "[ . 1 . 2]" 1 153 1 14 VAL H 1 91 ILE MG . . 4.590 4.527 4.369 4.589 . 0 0 "[ . 1 . 2]" 1 154 1 14 VAL H 1 92 PRO HD3 . . 4.330 4.208 4.078 4.331 0.001 17 0 "[ . 1 . 2]" 1 155 1 14 VAL H 1 92 PRO QG . . 5.250 4.311 4.162 4.462 . 0 0 "[ . 1 . 2]" 1 156 1 14 VAL HA 1 14 VAL MG1 . . 3.410 2.429 2.330 2.517 . 0 0 "[ . 1 . 2]" 1 157 1 14 VAL HA 1 14 VAL MG2 . . 3.540 2.255 2.117 2.427 . 0 0 "[ . 1 . 2]" 1 158 1 14 VAL HA 1 15 THR H . . 2.720 2.159 2.140 2.232 . 0 0 "[ . 1 . 2]" 1 159 1 14 VAL HA 1 15 THR MG . . 4.270 3.801 3.622 3.975 . 0 0 "[ . 1 . 2]" 1 160 1 14 VAL HA 1 35 ASP H . . 5.490 5.229 4.911 5.444 . 0 0 "[ . 1 . 2]" 1 161 1 14 VAL HA 1 36 CYS HA . . 4.060 3.026 2.766 3.404 . 0 0 "[ . 1 . 2]" 1 162 1 14 VAL HA 1 39 ALA MB . . 4.230 2.842 2.377 3.339 . 0 0 "[ . 1 . 2]" 1 163 1 14 VAL HB 1 15 THR H . . 4.480 4.244 3.995 4.386 . 0 0 "[ . 1 . 2]" 1 164 1 14 VAL HB 1 91 ILE HA . . 4.740 3.574 3.338 3.726 . 0 0 "[ . 1 . 2]" 1 165 1 14 VAL HB 1 91 ILE MG . . 3.670 2.388 2.158 2.503 . 0 0 "[ . 1 . 2]" 1 166 1 14 VAL HB 1 92 PRO HD2 . . 4.470 3.258 2.848 3.439 . 0 0 "[ . 1 . 2]" 1 167 1 14 VAL HB 1 92 PRO HD3 . . 4.530 3.880 3.685 4.069 . 0 0 "[ . 1 . 2]" 1 168 1 14 VAL MG1 1 15 THR H . . 3.080 2.396 1.909 2.736 . 0 0 "[ . 1 . 2]" 1 169 1 14 VAL MG1 1 15 THR HA . . 4.640 3.589 3.414 3.772 . 0 0 "[ . 1 . 2]" 1 170 1 14 VAL MG1 1 35 ASP H . . 4.040 3.918 3.597 4.039 . 0 0 "[ . 1 . 2]" 1 171 1 14 VAL MG1 1 36 CYS HA . . 4.000 3.642 3.321 3.961 . 0 0 "[ . 1 . 2]" 1 172 1 14 VAL MG1 1 36 CYS QB . . 4.460 3.816 3.146 4.426 . 0 0 "[ . 1 . 2]" 1 173 1 14 VAL MG1 1 86 TRP QB . . 4.680 3.252 3.053 3.558 . 0 0 "[ . 1 . 2]" 1 174 1 14 VAL MG1 1 91 ILE HB . . 3.400 3.040 2.862 3.291 . 0 0 "[ . 1 . 2]" 1 175 1 14 VAL MG1 1 92 PRO HD3 . . 5.150 4.798 4.593 5.069 . 0 0 "[ . 1 . 2]" 1 176 1 14 VAL MG2 1 15 THR H . . 4.060 3.860 3.674 4.007 . 0 0 "[ . 1 . 2]" 1 177 1 14 VAL MG2 1 36 CYS HA . . 3.690 2.658 2.139 3.192 . 0 0 "[ . 1 . 2]" 1 178 1 14 VAL MG2 1 36 CYS QB . . 4.240 2.891 2.338 3.386 . 0 0 "[ . 1 . 2]" 1 179 1 14 VAL MG2 1 39 ALA H . . 4.470 4.161 3.502 4.463 . 0 0 "[ . 1 . 2]" 1 180 1 14 VAL MG2 1 39 ALA MB . . 3.080 1.788 1.662 2.094 . 0 0 "[ . 1 . 2]" 1 181 1 14 VAL MG2 1 86 TRP HB2 . . 4.080 2.841 2.372 3.094 . 0 0 "[ . 1 . 2]" 1 182 1 14 VAL MG2 1 86 TRP QB . . 3.580 2.704 2.250 2.942 . 0 0 "[ . 1 . 2]" 1 183 1 14 VAL MG2 1 86 TRP HB3 . . 4.080 3.401 2.794 3.684 . 0 0 "[ . 1 . 2]" 1 184 1 14 VAL MG2 1 86 TRP HD1 . . 4.260 2.987 2.630 3.241 . 0 0 "[ . 1 . 2]" 1 185 1 14 VAL MG2 1 86 TRP HE1 . . 4.110 3.166 2.945 3.378 . 0 0 "[ . 1 . 2]" 1 186 1 14 VAL MG2 1 91 ILE MG . . 3.290 3.095 2.602 3.283 . 0 0 "[ . 1 . 2]" 1 187 1 15 THR H 1 15 THR HB . . 3.840 3.757 3.697 3.815 . 0 0 "[ . 1 . 2]" 1 188 1 15 THR H 1 15 THR MG . . 3.460 2.894 2.771 3.158 . 0 0 "[ . 1 . 2]" 1 189 1 15 THR H 1 16 SER H . . 4.760 4.490 4.436 4.547 . 0 0 "[ . 1 . 2]" 1 190 1 15 THR H 1 34 VAL MG1 . . 4.060 3.416 3.032 3.820 . 0 0 "[ . 1 . 2]" 1 191 1 15 THR H 1 35 ASP H . . 3.730 3.541 3.271 3.695 . 0 0 "[ . 1 . 2]" 1 192 1 15 THR H 1 35 ASP QB . . 3.670 3.400 3.049 3.668 . 0 0 "[ . 1 . 2]" 1 193 1 15 THR H 1 36 CYS HA . . 5.040 4.001 3.642 4.402 . 0 0 "[ . 1 . 2]" 1 194 1 15 THR HA 1 15 THR MG . . 3.130 2.303 2.177 2.420 . 0 0 "[ . 1 . 2]" 1 195 1 15 THR HA 1 16 SER H . . 2.770 2.293 2.231 2.469 . 0 0 "[ . 1 . 2]" 1 196 1 15 THR HA 1 16 SER HA . . 4.790 4.444 4.419 4.539 . 0 0 "[ . 1 . 2]" 1 197 1 15 THR HB 1 16 SER H . . 2.870 2.679 2.237 2.870 0.000 13 0 "[ . 1 . 2]" 1 198 1 15 THR MG 1 16 SER H . . 3.920 3.730 3.554 3.868 . 0 0 "[ . 1 . 2]" 1 199 1 15 THR MG 1 35 ASP QB . . 4.390 4.045 3.760 4.363 . 0 0 "[ . 1 . 2]" 1 200 1 16 SER H 1 16 SER HB2 . . 4.040 3.843 3.778 3.967 . 0 0 "[ . 1 . 2]" 1 201 1 16 SER H 1 16 SER HB3 . . 3.810 3.223 3.113 3.351 . 0 0 "[ . 1 . 2]" 1 202 1 16 SER H 1 16 SER HG . . 3.300 2.350 1.984 3.189 . 0 0 "[ . 1 . 2]" 1 203 1 16 SER H 1 17 LYS H . . 4.570 4.345 4.170 4.427 . 0 0 "[ . 1 . 2]" 1 204 1 16 SER H 1 21 LEU MD1 . . 4.930 4.320 4.043 4.548 . 0 0 "[ . 1 . 2]" 1 205 1 16 SER H 1 91 ILE MD . . 5.010 4.580 4.293 4.854 . 0 0 "[ . 1 . 2]" 1 206 1 16 SER HA 1 17 LYS H . . 2.790 2.192 2.157 2.229 . 0 0 "[ . 1 . 2]" 1 207 1 16 SER HA 1 17 LYS QD . . 5.240 4.505 2.880 5.246 0.006 16 0 "[ . 1 . 2]" 1 208 1 16 SER HA 1 21 LEU MD1 . . 4.400 3.553 3.406 3.780 . 0 0 "[ . 1 . 2]" 1 209 1 16 SER HA 1 33 LEU QB . . 5.500 4.862 4.576 5.168 . 0 0 "[ . 1 . 2]" 1 210 1 16 SER HA 1 34 VAL HA . . 3.570 2.239 2.053 2.575 . 0 0 "[ . 1 . 2]" 1 211 1 16 SER HA 1 34 VAL MG1 . . 4.090 3.383 3.071 3.931 . 0 0 "[ . 1 . 2]" 1 212 1 16 SER HA 1 34 VAL MG2 . . 3.840 2.958 2.628 3.558 . 0 0 "[ . 1 . 2]" 1 213 1 16 SER HA 1 35 ASP H . . 4.040 3.313 2.941 3.434 . 0 0 "[ . 1 . 2]" 1 214 1 16 SER HB2 1 17 LYS H . . 3.240 3.068 2.912 3.243 0.003 12 0 "[ . 1 . 2]" 1 215 1 16 SER HB2 1 21 LEU MD1 . . 3.650 2.058 1.895 2.225 . 0 0 "[ . 1 . 2]" 1 216 1 16 SER HB2 1 21 LEU MD2 . . 4.150 2.468 2.141 3.032 . 0 0 "[ . 1 . 2]" 1 217 1 16 SER HB2 1 34 VAL HA . . 4.110 3.894 3.428 4.108 . 0 0 "[ . 1 . 2]" 1 218 1 16 SER HB2 1 34 VAL MG2 . . 4.130 2.708 2.317 3.138 . 0 0 "[ . 1 . 2]" 1 219 1 16 SER HB2 1 91 ILE MD . . 4.090 4.019 3.897 4.088 . 0 0 "[ . 1 . 2]" 1 220 1 16 SER HB3 1 17 LYS H . . 4.240 4.104 3.956 4.233 . 0 0 "[ . 1 . 2]" 1 221 1 16 SER HB3 1 21 LEU MD1 . . 4.000 3.502 3.293 3.663 . 0 0 "[ . 1 . 2]" 1 222 1 16 SER HB3 1 21 LEU MD2 . . 4.530 3.525 3.162 4.039 . 0 0 "[ . 1 . 2]" 1 223 1 16 SER HB3 1 34 VAL HA . . 3.620 3.514 3.125 3.615 . 0 0 "[ . 1 . 2]" 1 224 1 16 SER HB3 1 34 VAL MG1 . . 3.990 2.895 2.320 3.484 . 0 0 "[ . 1 . 2]" 1 225 1 16 SER HB3 1 34 VAL MG2 . . 3.940 2.480 2.034 2.896 . 0 0 "[ . 1 . 2]" 1 226 1 16 SER HB3 1 35 ASP H . . 5.500 4.912 4.591 5.119 . 0 0 "[ . 1 . 2]" 1 227 1 16 SER HB3 1 91 ILE MD . . 3.730 3.081 2.921 3.268 . 0 0 "[ . 1 . 2]" 1 228 1 16 SER HG 1 21 LEU MD1 . . 4.570 3.170 2.388 3.662 . 0 0 "[ . 1 . 2]" 1 229 1 16 SER HG 1 91 ILE MD . . 3.960 3.217 2.361 3.915 . 0 0 "[ . 1 . 2]" 1 230 1 17 LYS H 1 17 LYS HB2 . . 4.110 3.814 3.699 3.895 . 0 0 "[ . 1 . 2]" 1 231 1 17 LYS H 1 17 LYS HB3 . . 4.110 3.221 2.997 3.502 . 0 0 "[ . 1 . 2]" 1 232 1 17 LYS H 1 17 LYS QD . . 4.150 3.278 1.886 4.147 . 0 0 "[ . 1 . 2]" 1 233 1 17 LYS H 1 17 LYS QE . . 4.720 4.108 3.170 4.726 0.006 12 0 "[ . 1 . 2]" 1 234 1 17 LYS H 1 17 LYS HG2 . . 4.220 2.706 1.989 3.725 . 0 0 "[ . 1 . 2]" 1 235 1 17 LYS H 1 17 LYS QG . . 3.500 2.266 1.890 3.061 . 0 0 "[ . 1 . 2]" 1 236 1 17 LYS H 1 17 LYS HG3 . . 4.220 3.216 1.898 4.170 . 0 0 "[ . 1 . 2]" 1 237 1 17 LYS H 1 21 LEU MD1 . . 3.780 2.819 2.493 3.030 . 0 0 "[ . 1 . 2]" 1 238 1 17 LYS H 1 21 LEU MD2 . . 4.900 4.610 4.261 4.898 . 0 0 "[ . 1 . 2]" 1 239 1 17 LYS H 1 32 PHE HB2 . . 5.340 3.950 3.708 4.243 . 0 0 "[ . 1 . 2]" 1 240 1 17 LYS H 1 33 LEU H . . 3.500 3.340 2.938 3.500 0.000 5 0 "[ . 1 . 2]" 1 241 1 17 LYS H 1 33 LEU QB . . 4.340 3.754 3.390 4.027 . 0 0 "[ . 1 . 2]" 1 242 1 17 LYS H 1 33 LEU QD . . 5.390 4.527 3.754 5.031 . 0 0 "[ . 1 . 2]" 1 243 1 17 LYS H 1 34 VAL HA . . 4.360 3.569 3.236 4.092 . 0 0 "[ . 1 . 2]" 1 244 1 17 LYS H 1 35 ASP H . . 4.990 4.670 4.423 4.987 . 0 0 "[ . 1 . 2]" 1 245 1 17 LYS HA 1 21 LEU MD1 . . 3.590 2.646 2.231 3.071 . 0 0 "[ . 1 . 2]" 1 246 1 17 LYS QB 1 17 LYS QE . . 3.930 3.168 2.090 3.742 . 0 0 "[ . 1 . 2]" 1 247 1 17 LYS QB 1 18 GLY H . . 3.980 2.552 2.200 2.791 . 0 0 "[ . 1 . 2]" 1 248 1 17 LYS HB2 1 17 LYS QD . . 3.400 2.675 2.059 3.401 0.001 19 0 "[ . 1 . 2]" 1 249 1 17 LYS HB2 1 18 GLY H . . 4.690 2.593 2.225 2.862 . 0 0 "[ . 1 . 2]" 1 250 1 17 LYS HB3 1 17 LYS QD . . 3.400 2.530 2.089 3.390 . 0 0 "[ . 1 . 2]" 1 251 1 17 LYS HB3 1 18 GLY H . . 4.690 3.828 3.455 4.062 . 0 0 "[ . 1 . 2]" 1 252 1 17 LYS QD 1 33 LEU QD . . 3.970 3.411 2.542 3.959 . 0 0 "[ . 1 . 2]" 1 253 1 17 LYS QE 1 17 LYS HG2 . . 3.800 2.603 2.092 3.501 . 0 0 "[ . 1 . 2]" 1 254 1 17 LYS QE 1 17 LYS QG . . 3.050 2.223 2.052 2.548 . 0 0 "[ . 1 . 2]" 1 255 1 17 LYS QE 1 17 LYS HG3 . . 3.800 2.720 2.075 3.305 . 0 0 "[ . 1 . 2]" 1 256 1 17 LYS QE 1 33 LEU QB . . 4.570 2.722 1.929 3.913 . 0 0 "[ . 1 . 2]" 1 257 1 17 LYS QE 1 33 LEU QD . . 3.430 2.890 2.028 3.430 0.000 16 0 "[ . 1 . 2]" 1 258 1 17 LYS QG 1 18 GLY H . . 5.220 3.806 3.314 4.465 . 0 0 "[ . 1 . 2]" 1 259 1 17 LYS QG 1 18 GLY QA . . 4.930 3.839 3.264 4.668 . 0 0 "[ . 1 . 2]" 1 260 1 17 LYS QG 1 33 LEU H . . 4.620 3.115 2.539 4.281 . 0 0 "[ . 1 . 2]" 1 261 1 17 LYS QG 1 33 LEU QB . . 3.610 2.686 2.077 3.462 . 0 0 "[ . 1 . 2]" 1 262 1 18 GLY H 1 21 LEU HB2 . . 5.500 4.563 3.745 5.502 0.002 15 0 "[ . 1 . 2]" 1 263 1 18 GLY H 1 21 LEU MD1 . . 4.640 3.074 2.485 3.782 . 0 0 "[ . 1 . 2]" 1 264 1 18 GLY QA 1 19 ALA MB . . 4.820 3.737 3.620 3.794 . 0 0 "[ . 1 . 2]" 1 265 1 18 GLY QA 1 20 GLY H . . 4.670 3.640 2.999 3.930 . 0 0 "[ . 1 . 2]" 1 266 1 18 GLY QA 1 32 PHE HB2 . . 4.840 3.310 2.983 3.786 . 0 0 "[ . 1 . 2]" 1 267 1 18 GLY QA 1 32 PHE HB3 . . 4.970 3.127 2.725 3.798 . 0 0 "[ . 1 . 2]" 1 268 1 18 GLY QA 1 33 LEU H . . 4.300 3.509 3.157 3.870 . 0 0 "[ . 1 . 2]" 1 269 1 19 ALA HA 1 21 LEU H . . 4.220 3.805 3.192 3.971 . 0 0 "[ . 1 . 2]" 1 270 1 19 ALA HA 1 22 SER H . . 4.410 3.123 3.029 3.248 . 0 0 "[ . 1 . 2]" 1 271 1 19 ALA HA 1 23 LYS H . . 4.680 3.612 3.336 4.210 . 0 0 "[ . 1 . 2]" 1 272 1 19 ALA HA 1 23 LYS QG . . 5.170 4.212 3.797 4.507 . 0 0 "[ . 1 . 2]" 1 273 1 19 ALA MB 1 20 GLY H . . 3.440 2.535 2.306 3.137 . 0 0 "[ . 1 . 2]" 1 274 1 19 ALA MB 1 20 GLY HA3 . . 4.520 4.252 4.139 4.527 0.007 15 0 "[ . 1 . 2]" 1 275 1 19 ALA MB 1 21 LEU H . . 4.470 4.282 4.121 4.341 . 0 0 "[ . 1 . 2]" 1 276 1 19 ALA MB 1 22 SER H . . 4.460 4.222 4.085 4.382 . 0 0 "[ . 1 . 2]" 1 277 1 19 ALA MB 1 22 SER HB2 . . 4.940 4.782 4.463 4.940 0.000 13 0 "[ . 1 . 2]" 1 278 1 19 ALA MB 1 22 SER HB3 . . 4.940 3.975 3.777 4.950 0.010 15 0 "[ . 1 . 2]" 1 279 1 19 ALA MB 1 31 SER H . . 4.690 4.344 4.003 4.688 . 0 0 "[ . 1 . 2]" 1 280 1 20 GLY H 1 21 LEU H . . 3.370 2.915 2.725 3.014 . 0 0 "[ . 1 . 2]" 1 281 1 20 GLY H 1 21 LEU MD1 . . 5.500 5.001 4.348 5.311 . 0 0 "[ . 1 . 2]" 1 282 1 20 GLY H 1 22 SER H . . 4.970 4.372 4.211 4.468 . 0 0 "[ . 1 . 2]" 1 283 1 20 GLY H 1 32 PHE QD . . 4.710 4.539 4.246 4.698 . 0 0 "[ . 1 . 2]" 1 284 1 20 GLY H 1 72 TYR HH . . 5.180 4.542 4.295 5.145 . 0 0 "[ . 1 . 2]" 1 285 1 20 GLY HA2 1 22 SER H . . 4.610 4.382 3.880 4.550 . 0 0 "[ . 1 . 2]" 1 286 1 20 GLY HA2 1 23 LYS H . . 4.090 3.912 3.673 4.039 . 0 0 "[ . 1 . 2]" 1 287 1 20 GLY HA2 1 32 PHE QD . . 5.010 4.786 3.886 4.988 . 0 0 "[ . 1 . 2]" 1 288 1 20 GLY HA2 1 72 TYR QE . . 4.410 4.168 4.004 4.396 . 0 0 "[ . 1 . 2]" 1 289 1 20 GLY HA3 1 22 SER H . . 4.970 4.771 4.660 4.858 . 0 0 "[ . 1 . 2]" 1 290 1 20 GLY HA3 1 23 LYS H . . 5.200 5.153 4.968 5.227 0.027 15 0 "[ . 1 . 2]" 1 291 1 20 GLY HA3 1 30 SER HB3 . . 4.170 2.247 2.008 2.882 . 0 0 "[ . 1 . 2]" 1 292 1 20 GLY HA3 1 31 SER H . . 4.160 4.014 3.555 4.158 . 0 0 "[ . 1 . 2]" 1 293 1 20 GLY HA3 1 32 PHE QD . . 4.240 3.116 2.453 3.298 . 0 0 "[ . 1 . 2]" 1 294 1 20 GLY HA3 1 72 TYR QE . . 4.260 3.687 3.341 4.027 . 0 0 "[ . 1 . 2]" 1 295 1 20 GLY HA3 1 72 TYR HH . . 4.670 2.405 2.081 3.234 . 0 0 "[ . 1 . 2]" 1 296 1 21 LEU H 1 21 LEU HB2 . . 3.090 2.546 2.386 2.740 . 0 0 "[ . 1 . 2]" 1 297 1 21 LEU H 1 21 LEU HB3 . . 3.710 3.607 3.584 3.787 0.077 15 0 "[ . 1 . 2]" 1 298 1 21 LEU H 1 21 LEU MD1 . . 3.740 3.272 3.124 3.483 . 0 0 "[ . 1 . 2]" 1 299 1 21 LEU H 1 21 LEU MD2 . . 3.960 3.630 3.433 3.951 . 0 0 "[ . 1 . 2]" 1 300 1 21 LEU H 1 21 LEU HG . . 3.090 2.239 1.964 2.664 . 0 0 "[ . 1 . 2]" 1 301 1 21 LEU H 1 22 SER H . . 3.020 2.492 1.991 2.608 . 0 0 "[ . 1 . 2]" 1 302 1 21 LEU H 1 22 SER HB2 . . 5.170 4.835 4.642 5.253 0.083 15 0 "[ . 1 . 2]" 1 303 1 21 LEU H 1 22 SER QB . . 4.470 4.357 4.243 4.445 . 0 0 "[ . 1 . 2]" 1 304 1 21 LEU H 1 22 SER HB3 . . 5.170 4.964 4.722 5.112 . 0 0 "[ . 1 . 2]" 1 305 1 21 LEU H 1 23 LYS H . . 4.360 4.227 3.598 4.347 . 0 0 "[ . 1 . 2]" 1 306 1 21 LEU H 1 32 PHE HB2 . . 4.270 4.189 3.796 4.273 0.003 20 0 "[ . 1 . 2]" 1 307 1 21 LEU H 1 32 PHE HB3 . . 3.830 3.212 2.839 3.530 . 0 0 "[ . 1 . 2]" 1 308 1 21 LEU H 1 32 PHE QD . . 4.540 4.375 4.134 4.539 . 0 0 "[ . 1 . 2]" 1 309 1 21 LEU H 1 72 TYR HH . . 5.130 4.466 4.042 4.886 . 0 0 "[ . 1 . 2]" 1 310 1 21 LEU HA 1 21 LEU MD1 . . 4.070 3.950 3.902 3.987 . 0 0 "[ . 1 . 2]" 1 311 1 21 LEU HA 1 21 LEU MD2 . . 3.170 2.430 2.259 2.613 . 0 0 "[ . 1 . 2]" 1 312 1 21 LEU HA 1 21 LEU HG . . 3.920 2.961 2.825 3.044 . 0 0 "[ . 1 . 2]" 1 313 1 21 LEU HA 1 82 LEU MD1 . . 4.850 4.746 4.592 4.843 . 0 0 "[ . 1 . 2]" 1 314 1 21 LEU HA 1 82 LEU MD2 . . 3.460 2.528 2.341 2.758 . 0 0 "[ . 1 . 2]" 1 315 1 21 LEU HA 1 98 VAL MG2 . . 3.910 2.948 2.689 3.222 . 0 0 "[ . 1 . 2]" 1 316 1 21 LEU HB2 1 21 LEU MD1 . . 3.280 2.152 2.012 2.245 . 0 0 "[ . 1 . 2]" 1 317 1 21 LEU HB2 1 21 LEU MD2 . . 3.670 3.145 3.120 3.164 . 0 0 "[ . 1 . 2]" 1 318 1 21 LEU HB2 1 22 SER H . . 3.850 2.705 2.556 3.540 . 0 0 "[ . 1 . 2]" 1 319 1 21 LEU HB3 1 21 LEU MD1 . . 3.290 2.583 2.475 2.663 . 0 0 "[ . 1 . 2]" 1 320 1 21 LEU HB3 1 21 LEU MD2 . . 3.450 2.145 2.034 2.267 . 0 0 "[ . 1 . 2]" 1 321 1 21 LEU HB3 1 22 SER H . . 4.370 3.807 3.687 4.371 0.001 15 0 "[ . 1 . 2]" 1 322 1 21 LEU HB3 1 82 LEU MD2 . . 4.250 3.459 3.171 3.698 . 0 0 "[ . 1 . 2]" 1 323 1 21 LEU HB3 1 96 PHE QD . . 4.910 3.603 2.779 4.052 . 0 0 "[ . 1 . 2]" 1 324 1 21 LEU MD1 1 32 PHE HB2 . . 4.220 2.091 1.950 2.319 . 0 0 "[ . 1 . 2]" 1 325 1 21 LEU MD1 1 32 PHE HB3 . . 4.350 3.112 2.869 3.378 . 0 0 "[ . 1 . 2]" 1 326 1 21 LEU MD1 1 32 PHE QD . . 4.320 3.230 2.812 3.604 . 0 0 "[ . 1 . 2]" 1 327 1 21 LEU MD1 1 33 LEU H . . 4.820 3.800 3.501 4.031 . 0 0 "[ . 1 . 2]" 1 328 1 21 LEU MD1 1 96 PHE QD . . 5.500 4.989 4.481 5.195 . 0 0 "[ . 1 . 2]" 1 329 1 21 LEU MD1 1 96 PHE QE . . 4.720 4.411 3.650 4.691 . 0 0 "[ . 1 . 2]" 1 330 1 21 LEU MD1 1 96 PHE HZ . . 5.500 4.798 4.183 5.308 . 0 0 "[ . 1 . 2]" 1 331 1 21 LEU MD2 1 32 PHE HB2 . . 4.320 2.872 2.216 3.371 . 0 0 "[ . 1 . 2]" 1 332 1 21 LEU MD2 1 32 PHE HB3 . . 4.270 3.338 2.835 3.829 . 0 0 "[ . 1 . 2]" 1 333 1 21 LEU MD2 1 32 PHE QD . . 3.820 2.783 2.343 3.230 . 0 0 "[ . 1 . 2]" 1 334 1 21 LEU MD2 1 32 PHE QE . . 4.340 3.481 2.980 3.807 . 0 0 "[ . 1 . 2]" 1 335 1 21 LEU MD2 1 82 LEU MD1 . . 4.100 3.593 3.368 3.738 . 0 0 "[ . 1 . 2]" 1 336 1 21 LEU MD2 1 82 LEU MD2 . . 3.280 1.843 1.673 2.035 . 0 0 "[ . 1 . 2]" 1 337 1 21 LEU MD2 1 84 VAL MG2 . . 4.030 3.215 2.928 3.473 . 0 0 "[ . 1 . 2]" 1 338 1 21 LEU MD2 1 96 PHE QD . . 4.160 3.830 3.523 4.076 . 0 0 "[ . 1 . 2]" 1 339 1 21 LEU MD2 1 96 PHE QE . . 4.500 3.949 3.581 4.280 . 0 0 "[ . 1 . 2]" 1 340 1 21 LEU MD2 1 96 PHE HZ . . 5.120 4.526 3.861 4.951 . 0 0 "[ . 1 . 2]" 1 341 1 21 LEU HG 1 22 SER H . . 4.560 4.270 4.081 4.504 . 0 0 "[ . 1 . 2]" 1 342 1 21 LEU HG 1 32 PHE HB2 . . 4.440 2.459 2.155 2.648 . 0 0 "[ . 1 . 2]" 1 343 1 21 LEU HG 1 32 PHE HB3 . . 4.310 2.307 2.004 2.563 . 0 0 "[ . 1 . 2]" 1 344 1 21 LEU HG 1 32 PHE QD . . 4.780 3.498 3.187 3.681 . 0 0 "[ . 1 . 2]" 1 345 1 21 LEU HG 1 33 LEU H . . 5.500 5.316 5.060 5.479 . 0 0 "[ . 1 . 2]" 1 346 1 21 LEU HG 1 82 LEU MD2 . . 3.890 3.668 3.450 3.859 . 0 0 "[ . 1 . 2]" 1 347 1 22 SER H 1 22 SER HB2 . . 4.100 2.561 2.416 3.541 . 0 0 "[ . 1 . 2]" 1 348 1 22 SER H 1 22 SER HB3 . . 4.100 2.703 2.577 3.385 . 0 0 "[ . 1 . 2]" 1 349 1 22 SER H 1 23 LYS H . . 2.640 2.533 1.948 2.629 . 0 0 "[ . 1 . 2]" 1 350 1 22 SER H 1 23 LYS QB . . 5.440 5.276 4.877 5.391 . 0 0 "[ . 1 . 2]" 1 351 1 22 SER H 1 98 VAL MG2 . . 4.290 4.139 3.851 4.280 . 0 0 "[ . 1 . 2]" 1 352 1 22 SER HA 1 98 VAL HA . . 4.470 4.360 4.121 4.467 . 0 0 "[ . 1 . 2]" 1 353 1 22 SER HA 1 98 VAL MG2 . . 4.700 3.946 3.628 4.236 . 0 0 "[ . 1 . 2]" 1 354 1 22 SER QB 1 23 LYS QB . . 5.260 3.816 3.630 3.978 . 0 0 "[ . 1 . 2]" 1 355 1 22 SER QB 1 23 LYS QG . . 4.050 2.686 2.353 2.920 . 0 0 "[ . 1 . 2]" 1 356 1 22 SER QB 1 98 VAL MG2 . . 5.340 4.927 4.654 5.241 . 0 0 "[ . 1 . 2]" 1 357 1 22 SER HB2 1 23 LYS H . . 4.380 3.580 3.507 3.683 . 0 0 "[ . 1 . 2]" 1 358 1 22 SER HB2 1 23 LYS QG . . 4.670 4.260 2.858 4.604 . 0 0 "[ . 1 . 2]" 1 359 1 22 SER HB3 1 23 LYS H . . 4.380 2.368 2.204 4.271 . 0 0 "[ . 1 . 2]" 1 360 1 22 SER HB3 1 23 LYS QG . . 4.670 2.787 2.370 4.361 . 0 0 "[ . 1 . 2]" 1 361 1 23 LYS H 1 23 LYS QB . . 3.420 3.233 3.120 3.362 . 0 0 "[ . 1 . 2]" 1 362 1 23 LYS H 1 23 LYS QG . . 3.760 2.525 2.369 2.733 . 0 0 "[ . 1 . 2]" 1 363 1 23 LYS H 1 24 ALA H . . 4.420 4.366 4.298 4.415 . 0 0 "[ . 1 . 2]" 1 364 1 23 LYS H 1 98 VAL MG1 . . 3.870 3.707 3.405 3.857 . 0 0 "[ . 1 . 2]" 1 365 1 23 LYS HA 1 23 LYS QD . . 4.480 4.291 3.692 4.486 0.006 18 0 "[ . 1 . 2]" 1 366 1 23 LYS HA 1 23 LYS QG . . 3.820 3.340 3.312 3.398 . 0 0 "[ . 1 . 2]" 1 367 1 23 LYS HA 1 24 ALA H . . 2.630 2.388 2.233 2.642 0.012 10 0 "[ . 1 . 2]" 1 368 1 23 LYS HA 1 24 ALA HA . . 4.700 4.463 4.387 4.620 . 0 0 "[ . 1 . 2]" 1 369 1 23 LYS HA 1 24 ALA MB . . 4.270 3.809 3.738 3.934 . 0 0 "[ . 1 . 2]" 1 370 1 23 LYS HA 1 98 VAL MG1 . . 3.460 2.011 1.872 2.155 . 0 0 "[ . 1 . 2]" 1 371 1 23 LYS HA 1 99 THR H . . 3.540 2.511 2.223 2.782 . 0 0 "[ . 1 . 2]" 1 372 1 23 LYS HA 1 99 THR HB . . 4.540 4.342 3.996 4.540 . 0 0 "[ . 1 . 2]" 1 373 1 23 LYS QB 1 23 LYS QE . . 4.290 2.908 2.004 3.708 . 0 0 "[ . 1 . 2]" 1 374 1 23 LYS QB 1 24 ALA H . . 3.340 2.458 1.933 2.835 . 0 0 "[ . 1 . 2]" 1 375 1 23 LYS QB 1 24 ALA HA . . 4.520 4.294 4.028 4.491 . 0 0 "[ . 1 . 2]" 1 376 1 23 LYS QB 1 25 PHE QD . . 4.850 4.602 4.144 4.869 0.019 20 0 "[ . 1 . 2]" 1 377 1 23 LYS QB 1 25 PHE QE . . 4.000 3.766 3.310 3.992 . 0 0 "[ . 1 . 2]" 1 378 1 23 LYS QB 1 98 VAL MG1 . . 4.320 3.458 3.230 3.671 . 0 0 "[ . 1 . 2]" 1 379 1 23 LYS QB 1 99 THR HB . . 5.500 3.324 3.051 3.660 . 0 0 "[ . 1 . 2]" 1 380 1 23 LYS QD 1 25 PHE QE . . 3.960 2.526 1.976 3.687 . 0 0 "[ . 1 . 2]" 1 381 1 23 LYS QD 1 25 PHE HZ . . 3.800 2.816 2.380 3.707 . 0 0 "[ . 1 . 2]" 1 382 1 23 LYS HD2 1 25 PHE HZ . . 4.450 3.142 2.418 4.449 . 0 0 "[ . 1 . 2]" 1 383 1 23 LYS HD3 1 25 PHE HZ . . 4.450 3.758 2.567 4.450 . 0 0 "[ . 1 . 2]" 1 384 1 23 LYS QE 1 25 PHE HZ . . 5.010 3.736 1.837 4.998 . 0 0 "[ . 1 . 2]" 1 385 1 23 LYS QG 1 24 ALA H . . 4.040 3.692 3.324 3.984 . 0 0 "[ . 1 . 2]" 1 386 1 23 LYS QG 1 24 ALA HA . . 5.420 3.949 3.560 4.708 . 0 0 "[ . 1 . 2]" 1 387 1 23 LYS QG 1 25 PHE QD . . 5.080 4.076 3.241 5.124 0.044 10 0 "[ . 1 . 2]" 1 388 1 23 LYS QG 1 25 PHE QE . . 4.330 2.770 2.007 3.748 . 0 0 "[ . 1 . 2]" 1 389 1 23 LYS QG 1 25 PHE HZ . . 4.800 3.945 2.351 4.721 . 0 0 "[ . 1 . 2]" 1 390 1 24 ALA H 1 24 ALA MB . . 3.090 2.521 2.347 2.794 . 0 0 "[ . 1 . 2]" 1 391 1 24 ALA H 1 25 PHE H . . 4.710 4.432 4.239 4.516 . 0 0 "[ . 1 . 2]" 1 392 1 24 ALA H 1 98 VAL MG1 . . 3.380 2.365 1.974 2.951 . 0 0 "[ . 1 . 2]" 1 393 1 24 ALA H 1 99 THR H . . 4.470 3.858 3.438 4.295 . 0 0 "[ . 1 . 2]" 1 394 1 24 ALA H 1 100 VAL HA . . 4.930 3.194 2.937 3.353 . 0 0 "[ . 1 . 2]" 1 395 1 24 ALA H 1 100 VAL MG1 . . 4.700 4.260 4.023 4.479 . 0 0 "[ . 1 . 2]" 1 396 1 24 ALA H 1 100 VAL MG2 . . 3.580 2.611 2.105 3.236 . 0 0 "[ . 1 . 2]" 1 397 1 24 ALA H 1 101 PRO HD2 . . 4.640 4.348 3.809 4.628 . 0 0 "[ . 1 . 2]" 1 398 1 24 ALA H 1 101 PRO QD . . 4.000 3.866 3.416 4.003 0.003 4 0 "[ . 1 . 2]" 1 399 1 24 ALA H 1 101 PRO HD3 . . 4.640 4.336 3.862 4.589 . 0 0 "[ . 1 . 2]" 1 400 1 24 ALA HA 1 25 PHE H . . 2.790 2.403 2.221 2.579 . 0 0 "[ . 1 . 2]" 1 401 1 24 ALA HA 1 25 PHE HA . . 5.000 4.446 4.379 4.506 . 0 0 "[ . 1 . 2]" 1 402 1 24 ALA HA 1 25 PHE QD . . 4.170 3.092 2.518 4.101 . 0 0 "[ . 1 . 2]" 1 403 1 24 ALA HA 1 25 PHE QE . . 4.720 4.307 3.892 4.749 0.029 20 0 "[ . 1 . 2]" 1 404 1 24 ALA HA 1 30 SER HB2 . . 4.520 4.317 4.098 4.524 0.004 20 0 "[ . 1 . 2]" 1 405 1 24 ALA HA 1 30 SER HB3 . . 4.460 4.298 3.988 4.437 . 0 0 "[ . 1 . 2]" 1 406 1 24 ALA HA 1 98 VAL MG1 . . 4.450 3.804 3.550 4.168 . 0 0 "[ . 1 . 2]" 1 407 1 24 ALA MB 1 25 PHE H . . 3.170 2.486 2.195 2.862 . 0 0 "[ . 1 . 2]" 1 408 1 24 ALA MB 1 25 PHE QD . . 5.450 4.170 3.796 4.763 . 0 0 "[ . 1 . 2]" 1 409 1 24 ALA MB 1 30 SER HB2 . . 3.680 3.006 2.692 3.418 . 0 0 "[ . 1 . 2]" 1 410 1 24 ALA MB 1 30 SER HB3 . . 3.730 3.430 3.129 3.671 . 0 0 "[ . 1 . 2]" 1 411 1 24 ALA MB 1 30 SER HG . . 3.780 2.637 1.967 3.311 . 0 0 "[ . 1 . 2]" 1 412 1 24 ALA MB 1 72 TYR QD . . 4.570 4.325 4.157 4.479 . 0 0 "[ . 1 . 2]" 1 413 1 24 ALA MB 1 72 TYR QE . . 3.290 2.514 2.283 2.713 . 0 0 "[ . 1 . 2]" 1 414 1 24 ALA MB 1 72 TYR HH . . 3.960 3.033 2.550 3.469 . 0 0 "[ . 1 . 2]" 1 415 1 24 ALA MB 1 74 VAL MG1 . . 3.610 3.282 2.891 3.609 . 0 0 "[ . 1 . 2]" 1 416 1 24 ALA MB 1 74 VAL MG2 . . 3.350 2.488 2.204 2.936 . 0 0 "[ . 1 . 2]" 1 417 1 24 ALA MB 1 98 VAL MG1 . . 2.980 2.047 1.813 2.359 . 0 0 "[ . 1 . 2]" 1 418 1 24 ALA MB 1 100 VAL MG2 . . 3.020 2.125 1.876 2.635 . 0 0 "[ . 1 . 2]" 1 419 1 25 PHE H 1 25 PHE HB2 . . 3.240 2.674 2.499 2.896 . 0 0 "[ . 1 . 2]" 1 420 1 25 PHE H 1 25 PHE HB3 . . 3.880 3.784 3.695 3.886 0.006 17 0 "[ . 1 . 2]" 1 421 1 25 PHE H 1 25 PHE QD . . 3.690 2.842 2.379 3.465 . 0 0 "[ . 1 . 2]" 1 422 1 25 PHE H 1 25 PHE QE . . 5.050 4.890 4.670 5.045 . 0 0 "[ . 1 . 2]" 1 423 1 25 PHE H 1 26 VAL H . . 4.680 4.352 4.102 4.490 . 0 0 "[ . 1 . 2]" 1 424 1 25 PHE H 1 28 GLN HB2 . . 4.050 3.251 2.785 3.540 . 0 0 "[ . 1 . 2]" 1 425 1 25 PHE H 1 28 GLN HB3 . . 4.680 4.554 4.238 4.717 0.037 20 0 "[ . 1 . 2]" 1 426 1 25 PHE H 1 30 SER HB2 . . 4.670 4.553 4.326 4.662 . 0 0 "[ . 1 . 2]" 1 427 1 25 PHE H 1 30 SER HG . . 4.530 2.934 2.491 3.566 . 0 0 "[ . 1 . 2]" 1 428 1 25 PHE H 1 74 VAL MG2 . . 4.300 3.721 3.178 4.063 . 0 0 "[ . 1 . 2]" 1 429 1 25 PHE H 1 100 VAL MG1 . . 5.060 3.957 3.708 4.342 . 0 0 "[ . 1 . 2]" 1 430 1 25 PHE H 1 100 VAL MG2 . . 4.790 3.914 3.542 4.779 . 0 0 "[ . 1 . 2]" 1 431 1 25 PHE HA 1 25 PHE QD . . 3.750 2.925 2.099 3.148 . 0 0 "[ . 1 . 2]" 1 432 1 25 PHE HA 1 25 PHE QE . . 4.770 4.636 4.449 4.694 . 0 0 "[ . 1 . 2]" 1 433 1 25 PHE HA 1 26 VAL H . . 2.860 2.183 2.140 2.282 . 0 0 "[ . 1 . 2]" 1 434 1 25 PHE HA 1 26 VAL HA . . 5.020 4.338 4.319 4.397 . 0 0 "[ . 1 . 2]" 1 435 1 25 PHE HA 1 26 VAL HB . . 5.070 4.714 4.593 4.840 . 0 0 "[ . 1 . 2]" 1 436 1 25 PHE HA 1 26 VAL MG2 . . 3.950 3.701 3.546 3.828 . 0 0 "[ . 1 . 2]" 1 437 1 25 PHE HA 1 28 GLN HB2 . . 5.500 4.503 4.341 4.708 . 0 0 "[ . 1 . 2]" 1 438 1 25 PHE HA 1 100 VAL MG1 . . 3.480 2.142 1.969 2.472 . 0 0 "[ . 1 . 2]" 1 439 1 25 PHE HA 1 101 PRO HD2 . . 4.600 2.411 2.084 2.724 . 0 0 "[ . 1 . 2]" 1 440 1 25 PHE HA 1 101 PRO QD . . 3.900 2.392 2.073 2.701 . 0 0 "[ . 1 . 2]" 1 441 1 25 PHE HA 1 101 PRO HD3 . . 4.600 4.005 3.529 4.451 . 0 0 "[ . 1 . 2]" 1 442 1 25 PHE HB2 1 26 VAL H . . 4.220 4.127 3.915 4.234 0.014 20 0 "[ . 1 . 2]" 1 443 1 25 PHE HB2 1 28 GLN H . . 4.180 3.748 3.450 3.962 . 0 0 "[ . 1 . 2]" 1 444 1 25 PHE HB2 1 28 GLN HB2 . . 4.060 2.054 1.973 2.164 . 0 0 "[ . 1 . 2]" 1 445 1 25 PHE HB3 1 26 VAL H . . 3.680 3.148 2.743 3.597 . 0 0 "[ . 1 . 2]" 1 446 1 25 PHE HB3 1 28 GLN H . . 4.660 3.976 3.753 4.427 . 0 0 "[ . 1 . 2]" 1 447 1 25 PHE HB3 1 28 GLN HB2 . . 4.120 3.311 3.008 3.769 . 0 0 "[ . 1 . 2]" 1 448 1 25 PHE HB3 1 28 GLN HB3 . . 5.270 4.610 4.190 5.054 . 0 0 "[ . 1 . 2]" 1 449 1 25 PHE HB3 1 28 GLN HE21 . . 5.240 3.549 1.901 5.168 . 0 0 "[ . 1 . 2]" 1 450 1 25 PHE HB3 1 28 GLN QE . . 4.540 3.215 1.880 4.443 . 0 0 "[ . 1 . 2]" 1 451 1 25 PHE HB3 1 28 GLN HE22 . . 5.240 3.997 1.990 5.282 0.042 20 0 "[ . 1 . 2]" 1 452 1 25 PHE HB3 1 28 GLN QG . . 3.830 2.871 2.023 3.633 . 0 0 "[ . 1 . 2]" 1 453 1 25 PHE HB3 1 101 PRO QG . . 5.350 3.712 3.447 4.056 . 0 0 "[ . 1 . 2]" 1 454 1 25 PHE QD 1 26 VAL H . . 4.520 4.221 4.070 4.426 . 0 0 "[ . 1 . 2]" 1 455 1 25 PHE QD 1 28 GLN QG . . 4.800 3.968 3.247 4.571 . 0 0 "[ . 1 . 2]" 1 456 1 25 PHE QD 1 100 VAL MG1 . . 4.680 4.036 3.319 4.436 . 0 0 "[ . 1 . 2]" 1 457 1 25 PHE QD 1 101 PRO HD2 . . 4.550 3.300 2.101 3.891 . 0 0 "[ . 1 . 2]" 1 458 1 25 PHE QD 1 101 PRO QD . . 3.870 3.116 2.060 3.641 . 0 0 "[ . 1 . 2]" 1 459 1 25 PHE QD 1 101 PRO HD3 . . 4.550 3.900 2.914 4.529 . 0 0 "[ . 1 . 2]" 1 460 1 25 PHE QD 1 101 PRO HG2 . . 3.880 2.700 2.119 3.167 . 0 0 "[ . 1 . 2]" 1 461 1 25 PHE QD 1 101 PRO HG3 . . 3.880 2.844 2.232 3.522 . 0 0 "[ . 1 . 2]" 1 462 1 25 PHE QE 1 101 PRO QD . . 4.300 3.522 2.657 3.880 . 0 0 "[ . 1 . 2]" 1 463 1 25 PHE QE 1 101 PRO HG2 . . 4.010 3.672 3.191 4.001 . 0 0 "[ . 1 . 2]" 1 464 1 25 PHE QE 1 101 PRO HG3 . . 4.010 2.552 2.044 2.891 . 0 0 "[ . 1 . 2]" 1 465 1 26 VAL H 1 26 VAL HB . . 3.130 2.598 2.502 2.711 . 0 0 "[ . 1 . 2]" 1 466 1 26 VAL H 1 26 VAL MG1 . . 4.140 3.766 3.758 3.783 . 0 0 "[ . 1 . 2]" 1 467 1 26 VAL H 1 26 VAL MG2 . . 2.960 2.120 1.877 2.288 . 0 0 "[ . 1 . 2]" 1 468 1 26 VAL H 1 27 GLY H . . 4.940 4.576 4.496 4.620 . 0 0 "[ . 1 . 2]" 1 469 1 26 VAL H 1 74 VAL MG2 . . 4.580 3.792 3.439 3.997 . 0 0 "[ . 1 . 2]" 1 470 1 26 VAL H 1 100 VAL MG1 . . 3.310 2.314 2.038 2.702 . 0 0 "[ . 1 . 2]" 1 471 1 26 VAL H 1 101 PRO QD . . 4.700 3.699 3.335 4.089 . 0 0 "[ . 1 . 2]" 1 472 1 26 VAL HA 1 26 VAL MG1 . . 3.280 2.391 2.242 2.473 . 0 0 "[ . 1 . 2]" 1 473 1 26 VAL HA 1 26 VAL MG2 . . 3.240 2.336 2.239 2.440 . 0 0 "[ . 1 . 2]" 1 474 1 26 VAL HA 1 27 GLY H . . 2.770 2.177 2.145 2.214 . 0 0 "[ . 1 . 2]" 1 475 1 26 VAL HA 1 27 GLY HA2 . . 4.510 4.422 4.391 4.452 . 0 0 "[ . 1 . 2]" 1 476 1 26 VAL HA 1 27 GLY HA3 . . 4.590 4.434 4.398 4.466 . 0 0 "[ . 1 . 2]" 1 477 1 26 VAL HA 1 28 GLN H . . 4.280 3.981 3.621 4.211 . 0 0 "[ . 1 . 2]" 1 478 1 26 VAL HA 1 74 VAL HB . . 4.930 4.297 3.867 4.663 . 0 0 "[ . 1 . 2]" 1 479 1 26 VAL HA 1 74 VAL MG2 . . 3.350 2.338 2.029 2.545 . 0 0 "[ . 1 . 2]" 1 480 1 26 VAL HA 1 75 LYS HA . . 4.390 4.030 3.479 4.387 . 0 0 "[ . 1 . 2]" 1 481 1 26 VAL HA 1 100 VAL MG1 . . 4.320 3.413 3.024 3.684 . 0 0 "[ . 1 . 2]" 1 482 1 26 VAL HB 1 27 GLY H . . 4.260 4.113 3.991 4.244 . 0 0 "[ . 1 . 2]" 1 483 1 26 VAL MG1 1 27 GLY H . . 3.290 2.335 1.965 2.685 . 0 0 "[ . 1 . 2]" 1 484 1 26 VAL MG1 1 27 GLY HA2 . . 4.040 3.477 3.317 3.617 . 0 0 "[ . 1 . 2]" 1 485 1 26 VAL MG1 1 27 GLY HA3 . . 3.630 3.283 3.099 3.561 . 0 0 "[ . 1 . 2]" 1 486 1 26 VAL MG1 1 75 LYS HA . . 3.270 2.539 2.064 3.005 . 0 0 "[ . 1 . 2]" 1 487 1 26 VAL MG1 1 76 GLU H . . 4.860 3.708 3.069 4.203 . 0 0 "[ . 1 . 2]" 1 488 1 26 VAL MG1 1 76 GLU HA . . 3.880 3.339 2.633 3.815 . 0 0 "[ . 1 . 2]" 1 489 1 26 VAL MG2 1 74 VAL MG2 . . 3.230 2.961 2.728 3.230 0.000 18 0 "[ . 1 . 2]" 1 490 1 26 VAL MG2 1 76 GLU H . . 4.460 3.689 3.097 4.421 . 0 0 "[ . 1 . 2]" 1 491 1 26 VAL MG2 1 76 GLU HA . . 3.650 3.062 2.513 3.553 . 0 0 "[ . 1 . 2]" 1 492 1 26 VAL MG2 1 77 ARG H . . 3.580 3.276 2.995 3.561 . 0 0 "[ . 1 . 2]" 1 493 1 26 VAL MG2 1 77 ARG HA . . 3.880 2.877 2.653 3.304 . 0 0 "[ . 1 . 2]" 1 494 1 26 VAL MG2 1 77 ARG HB2 . . 4.230 3.407 3.075 4.230 . 6 0 "[ . 1 . 2]" 1 495 1 26 VAL MG2 1 77 ARG QB . . 3.710 2.141 1.872 3.507 . 0 0 "[ . 1 . 2]" 1 496 1 26 VAL MG2 1 77 ARG HB3 . . 4.230 2.178 1.888 3.744 . 0 0 "[ . 1 . 2]" 1 497 1 26 VAL MG2 1 77 ARG HD2 . . 4.650 3.411 2.094 4.575 . 0 0 "[ . 1 . 2]" 1 498 1 26 VAL MG2 1 77 ARG HD3 . . 4.650 3.122 2.408 3.899 . 0 0 "[ . 1 . 2]" 1 499 1 26 VAL MG2 1 77 ARG HG2 . . 4.440 3.571 1.921 4.221 . 0 0 "[ . 1 . 2]" 1 500 1 26 VAL MG2 1 77 ARG QG . . 3.720 3.292 1.809 3.662 . 0 0 "[ . 1 . 2]" 1 501 1 26 VAL MG2 1 77 ARG HG3 . . 4.440 4.043 1.842 4.437 . 0 0 "[ . 1 . 2]" 1 502 1 26 VAL MG2 1 100 VAL HB . . 4.400 3.838 3.610 4.043 . 0 0 "[ . 1 . 2]" 1 503 1 27 GLY H 1 28 GLN H . . 3.470 3.350 2.769 3.463 . 0 0 "[ . 1 . 2]" 1 504 1 27 GLY H 1 28 GLN QG . . 5.500 5.229 4.962 5.492 . 0 0 "[ . 1 . 2]" 1 505 1 27 GLY H 1 73 VAL MG1 . . 3.680 3.434 3.116 3.651 . 0 0 "[ . 1 . 2]" 1 506 1 27 GLY H 1 74 VAL HB . . 5.500 5.147 4.652 5.489 . 0 0 "[ . 1 . 2]" 1 507 1 27 GLY H 1 74 VAL MG2 . . 3.680 3.074 2.545 3.369 . 0 0 "[ . 1 . 2]" 1 508 1 27 GLY H 1 75 LYS HA . . 3.930 3.284 2.858 3.830 . 0 0 "[ . 1 . 2]" 1 509 1 27 GLY H 1 75 LYS QD . . 4.700 3.998 3.585 4.554 . 0 0 "[ . 1 . 2]" 1 510 1 27 GLY HA2 1 73 VAL MG1 . . 3.600 3.204 2.848 3.600 . 0 0 "[ . 1 . 2]" 1 511 1 27 GLY HA2 1 75 LYS QD . . 4.630 3.811 3.029 4.177 . 0 0 "[ . 1 . 2]" 1 512 1 27 GLY HA3 1 28 GLN HA . . 5.130 4.320 4.305 4.380 . 0 0 "[ . 1 . 2]" 1 513 1 27 GLY HA3 1 75 LYS QD . . 5.500 5.035 4.246 5.502 0.002 4 0 "[ . 1 . 2]" 1 514 1 28 GLN H 1 28 GLN HB2 . . 3.040 2.510 2.366 2.668 . 0 0 "[ . 1 . 2]" 1 515 1 28 GLN H 1 28 GLN HB3 . . 3.670 3.588 3.570 3.633 . 0 0 "[ . 1 . 2]" 1 516 1 28 GLN H 1 28 GLN QG . . 3.420 2.243 1.975 3.087 . 0 0 "[ . 1 . 2]" 1 517 1 28 GLN H 1 29 LYS H . . 5.060 4.578 4.388 4.638 . 0 0 "[ . 1 . 2]" 1 518 1 28 GLN H 1 73 VAL MG1 . . 5.230 4.833 4.414 5.127 . 0 0 "[ . 1 . 2]" 1 519 1 28 GLN H 1 74 VAL MG2 . . 5.150 4.631 3.996 4.919 . 0 0 "[ . 1 . 2]" 1 520 1 28 GLN HA 1 28 GLN QG . . 3.640 2.421 2.275 2.732 . 0 0 "[ . 1 . 2]" 1 521 1 28 GLN HA 1 29 LYS H . . 3.240 2.319 2.145 2.616 . 0 0 "[ . 1 . 2]" 1 522 1 28 GLN HB2 1 28 GLN QE . . 4.500 3.634 3.043 4.110 . 0 0 "[ . 1 . 2]" 1 523 1 28 GLN HB2 1 29 LYS H . . 4.480 3.842 3.285 4.427 . 0 0 "[ . 1 . 2]" 1 524 1 28 GLN HB3 1 29 LYS H . . 3.860 2.771 1.981 3.679 . 0 0 "[ . 1 . 2]" 1 525 1 28 GLN QG 1 29 LYS H . . 4.570 4.019 3.632 4.354 . 0 0 "[ . 1 . 2]" 1 526 1 29 LYS H 1 29 LYS HB2 . . 3.790 2.517 2.200 2.965 . 0 0 "[ . 1 . 2]" 1 527 1 29 LYS H 1 29 LYS QB . . 3.260 2.338 2.137 2.551 . 0 0 "[ . 1 . 2]" 1 528 1 29 LYS H 1 29 LYS HB3 . . 3.790 2.823 2.714 2.938 . 0 0 "[ . 1 . 2]" 1 529 1 29 LYS H 1 29 LYS QD . . 4.900 4.598 4.337 4.890 . 0 0 "[ . 1 . 2]" 1 530 1 29 LYS H 1 29 LYS HG2 . . 4.820 4.588 4.497 4.685 . 0 0 "[ . 1 . 2]" 1 531 1 29 LYS H 1 29 LYS QG . . 4.120 3.998 3.829 4.124 0.004 3 0 "[ . 1 . 2]" 1 532 1 29 LYS H 1 29 LYS HG3 . . 4.820 4.405 4.128 4.687 . 0 0 "[ . 1 . 2]" 1 533 1 29 LYS H 1 73 VAL MG2 . . 4.800 4.621 4.124 4.800 0.000 14 0 "[ . 1 . 2]" 1 534 1 29 LYS HA 1 29 LYS QD . . 4.100 4.018 3.825 4.111 0.011 14 0 "[ . 1 . 2]" 1 535 1 29 LYS HA 1 29 LYS QE . . 4.870 4.252 3.680 4.772 . 0 0 "[ . 1 . 2]" 1 536 1 29 LYS HA 1 29 LYS HG2 . . 3.900 2.850 2.515 3.220 . 0 0 "[ . 1 . 2]" 1 537 1 29 LYS HA 1 29 LYS HG3 . . 3.900 2.445 2.300 2.695 . 0 0 "[ . 1 . 2]" 1 538 1 29 LYS HA 1 30 SER H . . 2.710 2.160 2.141 2.192 . 0 0 "[ . 1 . 2]" 1 539 1 29 LYS HA 1 30 SER HB2 . . 5.210 4.370 4.290 4.520 . 0 0 "[ . 1 . 2]" 1 540 1 29 LYS HA 1 71 THR MG . . 3.950 3.702 3.527 3.903 . 0 0 "[ . 1 . 2]" 1 541 1 29 LYS HA 1 72 TYR H . . 5.020 4.810 4.432 5.006 . 0 0 "[ . 1 . 2]" 1 542 1 29 LYS HA 1 73 VAL HA . . 4.330 3.343 3.109 3.524 . 0 0 "[ . 1 . 2]" 1 543 1 29 LYS HA 1 73 VAL MG2 . . 3.180 2.517 2.114 2.867 . 0 0 "[ . 1 . 2]" 1 544 1 29 LYS QB 1 29 LYS QD . . 3.210 2.128 2.022 2.255 . 0 0 "[ . 1 . 2]" 1 545 1 29 LYS QB 1 29 LYS QE . . 4.200 2.959 2.219 3.673 . 0 0 "[ . 1 . 2]" 1 546 1 29 LYS QB 1 30 SER H . . 4.020 3.873 3.757 3.928 . 0 0 "[ . 1 . 2]" 1 547 1 29 LYS QB 1 71 THR MG . . 3.520 3.251 2.884 3.504 . 0 0 "[ . 1 . 2]" 1 548 1 29 LYS QB 1 73 VAL MG2 . . 4.000 3.296 2.927 3.521 . 0 0 "[ . 1 . 2]" 1 549 1 29 LYS HB2 1 29 LYS QE . . 4.810 3.139 2.244 4.095 . 0 0 "[ . 1 . 2]" 1 550 1 29 LYS HB2 1 30 SER H . . 4.640 4.537 4.403 4.612 . 0 0 "[ . 1 . 2]" 1 551 1 29 LYS HB2 1 71 THR MG . . 4.300 4.211 3.971 4.302 0.002 5 0 "[ . 1 . 2]" 1 552 1 29 LYS HB2 1 73 VAL MG2 . . 4.550 3.422 3.018 3.692 . 0 0 "[ . 1 . 2]" 1 553 1 29 LYS HB3 1 29 LYS QE . . 4.810 3.777 3.106 4.203 . 0 0 "[ . 1 . 2]" 1 554 1 29 LYS HB3 1 30 SER H . . 4.640 4.202 4.075 4.257 . 0 0 "[ . 1 . 2]" 1 555 1 29 LYS HB3 1 71 THR MG . . 4.300 3.387 2.962 3.712 . 0 0 "[ . 1 . 2]" 1 556 1 29 LYS HB3 1 73 VAL MG2 . . 4.550 4.318 3.944 4.526 . 0 0 "[ . 1 . 2]" 1 557 1 29 LYS QD 1 71 THR HB . . 4.190 3.643 2.722 4.192 0.002 5 0 "[ . 1 . 2]" 1 558 1 29 LYS QD 1 71 THR MG . . 3.070 2.468 1.911 2.908 . 0 0 "[ . 1 . 2]" 1 559 1 29 LYS QD 1 73 VAL MG2 . . 3.760 3.611 2.881 3.759 . 0 0 "[ . 1 . 2]" 1 560 1 29 LYS QE 1 29 LYS HG2 . . 3.820 3.038 2.395 3.396 . 0 0 "[ . 1 . 2]" 1 561 1 29 LYS QE 1 29 LYS QG . . 3.300 2.172 2.022 2.347 . 0 0 "[ . 1 . 2]" 1 562 1 29 LYS QE 1 29 LYS HG3 . . 3.820 2.259 2.082 2.675 . 0 0 "[ . 1 . 2]" 1 563 1 29 LYS QE 1 57 GLU QG . . 5.480 4.913 4.009 5.478 . 0 0 "[ . 1 . 2]" 1 564 1 29 LYS QE 1 71 THR MG . . 3.910 3.407 2.248 3.911 0.001 11 0 "[ . 1 . 2]" 1 565 1 29 LYS QE 1 73 VAL MG2 . . 3.550 2.757 1.989 3.459 . 0 0 "[ . 1 . 2]" 1 566 1 29 LYS QG 1 71 THR HB . . 4.160 3.523 3.307 3.807 . 0 0 "[ . 1 . 2]" 1 567 1 29 LYS QG 1 71 THR MG . . 3.630 1.804 1.764 1.887 . 0 0 "[ . 1 . 2]" 1 568 1 29 LYS QG 1 73 VAL MG2 . . 3.110 2.054 1.826 2.183 . 0 0 "[ . 1 . 2]" 1 569 1 29 LYS HG2 1 30 SER H . . 4.390 3.563 3.150 3.867 . 0 0 "[ . 1 . 2]" 1 570 1 29 LYS HG2 1 71 THR HB . . 4.750 3.675 3.397 4.047 . 0 0 "[ . 1 . 2]" 1 571 1 29 LYS HG2 1 71 THR MG . . 4.230 1.822 1.777 1.899 . 0 0 "[ . 1 . 2]" 1 572 1 29 LYS HG2 1 73 VAL MG2 . . 3.570 3.288 2.756 3.571 0.001 7 0 "[ . 1 . 2]" 1 573 1 29 LYS HG3 1 30 SER H . . 4.390 3.911 3.186 4.389 . 0 0 "[ . 1 . 2]" 1 574 1 29 LYS HG3 1 71 THR HB . . 4.750 4.560 4.302 4.736 . 0 0 "[ . 1 . 2]" 1 575 1 29 LYS HG3 1 71 THR MG . . 4.230 2.969 2.453 3.272 . 0 0 "[ . 1 . 2]" 1 576 1 29 LYS HG3 1 73 VAL MG2 . . 3.570 2.077 1.849 2.202 . 0 0 "[ . 1 . 2]" 1 577 1 30 SER H 1 30 SER HB2 . . 3.320 2.269 2.195 2.382 . 0 0 "[ . 1 . 2]" 1 578 1 30 SER H 1 30 SER HB3 . . 3.650 3.537 3.493 3.599 . 0 0 "[ . 1 . 2]" 1 579 1 30 SER H 1 30 SER HG . . 3.940 3.289 2.713 3.902 . 0 0 "[ . 1 . 2]" 1 580 1 30 SER H 1 71 THR HA . . 5.300 5.235 5.084 5.302 0.002 18 0 "[ . 1 . 2]" 1 581 1 30 SER H 1 71 THR MG . . 3.870 3.397 3.238 3.565 . 0 0 "[ . 1 . 2]" 1 582 1 30 SER H 1 72 TYR H . . 3.840 3.704 3.441 3.841 0.001 12 0 "[ . 1 . 2]" 1 583 1 30 SER H 1 73 VAL HA . . 4.210 3.594 3.360 3.783 . 0 0 "[ . 1 . 2]" 1 584 1 30 SER H 1 73 VAL MG2 . . 3.790 3.690 3.558 3.792 0.002 18 0 "[ . 1 . 2]" 1 585 1 30 SER HA 1 31 SER H . . 2.820 2.155 2.139 2.187 . 0 0 "[ . 1 . 2]" 1 586 1 30 SER HA 1 31 SER HA . . 4.470 4.399 4.392 4.408 . 0 0 "[ . 1 . 2]" 1 587 1 30 SER HB2 1 31 SER H . . 4.470 4.358 4.265 4.444 . 0 0 "[ . 1 . 2]" 1 588 1 30 SER HB2 1 72 TYR H . . 4.390 3.996 3.560 4.362 . 0 0 "[ . 1 . 2]" 1 589 1 30 SER HB2 1 72 TYR QD . . 4.440 3.624 3.225 4.038 . 0 0 "[ . 1 . 2]" 1 590 1 30 SER HB2 1 72 TYR QE . . 4.080 2.749 2.422 3.213 . 0 0 "[ . 1 . 2]" 1 591 1 30 SER HB2 1 74 VAL MG2 . . 4.960 4.519 4.261 4.830 . 0 0 "[ . 1 . 2]" 1 592 1 30 SER HB3 1 31 SER H . . 3.690 3.333 3.173 3.495 . 0 0 "[ . 1 . 2]" 1 593 1 30 SER HB3 1 32 PHE QD . . 4.740 4.172 3.996 4.518 . 0 0 "[ . 1 . 2]" 1 594 1 30 SER HB3 1 72 TYR H . . 4.910 4.568 4.279 4.871 . 0 0 "[ . 1 . 2]" 1 595 1 30 SER HB3 1 72 TYR QD . . 5.300 4.648 4.256 4.934 . 0 0 "[ . 1 . 2]" 1 596 1 30 SER HB3 1 72 TYR QE . . 4.130 3.533 3.178 3.873 . 0 0 "[ . 1 . 2]" 1 597 1 30 SER HB3 1 72 TYR HH . . 4.320 2.710 2.214 3.151 . 0 0 "[ . 1 . 2]" 1 598 1 30 SER HB3 1 98 VAL MG1 . . 5.500 5.161 4.774 5.481 . 0 0 "[ . 1 . 2]" 1 599 1 31 SER H 1 31 SER HB2 . . 3.860 3.832 3.800 3.871 0.011 15 0 "[ . 1 . 2]" 1 600 1 31 SER H 1 31 SER HB3 . . 3.370 2.838 2.758 3.040 . 0 0 "[ . 1 . 2]" 1 601 1 31 SER H 1 32 PHE QD . . 5.020 4.707 4.409 4.944 . 0 0 "[ . 1 . 2]" 1 602 1 31 SER H 1 71 THR HA . . 4.870 4.804 4.690 4.873 0.003 3 0 "[ . 1 . 2]" 1 603 1 31 SER H 1 71 THR MG . . 4.320 3.334 3.180 3.476 . 0 0 "[ . 1 . 2]" 1 604 1 31 SER HA 1 32 PHE H . . 2.780 2.322 2.268 2.372 . 0 0 "[ . 1 . 2]" 1 605 1 31 SER HA 1 32 PHE QD . . 4.310 3.283 2.816 3.758 . 0 0 "[ . 1 . 2]" 1 606 1 31 SER HA 1 70 VAL H . . 4.990 4.808 4.596 4.923 . 0 0 "[ . 1 . 2]" 1 607 1 31 SER HA 1 71 THR HA . . 3.400 2.226 2.090 2.319 . 0 0 "[ . 1 . 2]" 1 608 1 31 SER HA 1 71 THR HB . . 4.830 4.477 4.302 4.675 . 0 0 "[ . 1 . 2]" 1 609 1 31 SER HA 1 71 THR MG . . 3.850 2.148 2.018 2.345 . 0 0 "[ . 1 . 2]" 1 610 1 31 SER HA 1 72 TYR H . . 3.980 3.697 3.502 3.807 . 0 0 "[ . 1 . 2]" 1 611 1 31 SER HB2 1 32 PHE H . . 3.330 2.789 2.596 2.932 . 0 0 "[ . 1 . 2]" 1 612 1 31 SER HB2 1 69 ASN HD21 . . 4.810 3.483 3.214 3.723 . 0 0 "[ . 1 . 2]" 1 613 1 31 SER HB2 1 69 ASN HD22 . . 4.330 2.516 2.184 2.757 . 0 0 "[ . 1 . 2]" 1 614 1 31 SER HB2 1 70 VAL H . . 4.840 4.495 4.111 4.745 . 0 0 "[ . 1 . 2]" 1 615 1 31 SER HB2 1 71 THR HA . . 4.040 3.645 3.463 3.827 . 0 0 "[ . 1 . 2]" 1 616 1 31 SER HB2 1 71 THR MG . . 3.710 2.569 2.421 2.986 . 0 0 "[ . 1 . 2]" 1 617 1 31 SER HB2 1 72 TYR H . . 5.500 5.403 5.205 5.500 0.000 11 0 "[ . 1 . 2]" 1 618 1 31 SER HB3 1 32 PHE H . . 4.160 4.075 3.922 4.165 0.005 20 0 "[ . 1 . 2]" 1 619 1 31 SER HB3 1 69 ASN HD22 . . 4.480 4.079 3.754 4.300 . 0 0 "[ . 1 . 2]" 1 620 1 31 SER HB3 1 71 THR HA . . 4.130 4.001 3.545 4.131 0.001 9 0 "[ . 1 . 2]" 1 621 1 31 SER HB3 1 71 THR MG . . 3.750 1.961 1.924 2.006 . 0 0 "[ . 1 . 2]" 1 622 1 31 SER HB3 1 72 TYR H . . 5.360 5.097 4.760 5.245 . 0 0 "[ . 1 . 2]" 1 623 1 32 PHE H 1 32 PHE QD . . 3.660 3.076 2.810 3.315 . 0 0 "[ . 1 . 2]" 1 624 1 32 PHE H 1 32 PHE QE . . 4.720 4.413 4.285 4.553 . 0 0 "[ . 1 . 2]" 1 625 1 32 PHE H 1 33 LEU QD . . 5.440 5.006 4.809 5.378 . 0 0 "[ . 1 . 2]" 1 626 1 32 PHE H 1 69 ASN HA . . 4.710 4.591 4.396 4.709 . 0 0 "[ . 1 . 2]" 1 627 1 32 PHE H 1 70 VAL H . . 3.330 3.128 2.907 3.294 . 0 0 "[ . 1 . 2]" 1 628 1 32 PHE H 1 70 VAL HB . . 4.110 3.950 3.658 4.103 . 0 0 "[ . 1 . 2]" 1 629 1 32 PHE H 1 70 VAL MG1 . . 4.700 4.590 4.411 4.701 0.001 7 0 "[ . 1 . 2]" 1 630 1 32 PHE H 1 70 VAL MG2 . . 5.170 5.001 4.734 5.138 . 0 0 "[ . 1 . 2]" 1 631 1 32 PHE H 1 71 THR HA . . 4.180 3.668 3.498 3.833 . 0 0 "[ . 1 . 2]" 1 632 1 32 PHE H 1 71 THR MG . . 4.420 4.042 3.932 4.237 . 0 0 "[ . 1 . 2]" 1 633 1 32 PHE HA 1 32 PHE QD . . 4.230 3.724 3.699 3.728 . 0 0 "[ . 1 . 2]" 1 634 1 32 PHE HA 1 33 LEU H . . 2.850 2.194 2.179 2.251 . 0 0 "[ . 1 . 2]" 1 635 1 32 PHE HA 1 33 LEU QB . . 4.720 3.978 3.943 3.994 . 0 0 "[ . 1 . 2]" 1 636 1 32 PHE HA 1 33 LEU QD . . 5.440 4.920 4.812 5.073 . 0 0 "[ . 1 . 2]" 1 637 1 32 PHE HB2 1 33 LEU H . . 3.120 3.060 2.845 3.121 0.001 8 0 "[ . 1 . 2]" 1 638 1 32 PHE HB3 1 33 LEU H . . 4.130 4.099 3.987 4.130 0.000 4 0 "[ . 1 . 2]" 1 639 1 32 PHE QD 1 33 LEU H . . 4.080 3.951 3.652 4.080 0.000 14 0 "[ . 1 . 2]" 1 640 1 32 PHE QD 1 34 VAL MG2 . . 3.240 2.388 2.186 2.660 . 0 0 "[ . 1 . 2]" 1 641 1 32 PHE QD 1 70 VAL HB . . 4.730 3.503 3.391 3.605 . 0 0 "[ . 1 . 2]" 1 642 1 32 PHE QD 1 71 THR HA . . 4.760 4.014 3.632 4.541 . 0 0 "[ . 1 . 2]" 1 643 1 32 PHE QD 1 82 LEU MD2 . . 4.210 3.862 3.707 4.041 . 0 0 "[ . 1 . 2]" 1 644 1 32 PHE QD 1 84 VAL MG2 . . 4.790 4.470 4.207 4.738 . 0 0 "[ . 1 . 2]" 1 645 1 32 PHE QE 1 34 VAL MG2 . . 3.030 2.643 2.127 2.950 . 0 0 "[ . 1 . 2]" 1 646 1 32 PHE QE 1 46 ILE MD . . 3.730 2.742 2.483 2.983 . 0 0 "[ . 1 . 2]" 1 647 1 32 PHE QE 1 70 VAL HB . . 4.280 2.710 2.452 2.908 . 0 0 "[ . 1 . 2]" 1 648 1 32 PHE QE 1 70 VAL MG1 . . 3.810 2.485 2.227 2.775 . 0 0 "[ . 1 . 2]" 1 649 1 32 PHE QE 1 70 VAL MG2 . . 3.580 2.956 2.754 3.257 . 0 0 "[ . 1 . 2]" 1 650 1 32 PHE QE 1 72 TYR QD . . 3.670 2.225 2.007 2.593 . 0 0 "[ . 1 . 2]" 1 651 1 32 PHE QE 1 72 TYR QE . . 3.450 2.277 2.002 2.632 . 0 0 "[ . 1 . 2]" 1 652 1 32 PHE QE 1 82 LEU MD1 . . 4.150 3.201 2.843 3.566 . 0 0 "[ . 1 . 2]" 1 653 1 32 PHE QE 1 82 LEU MD2 . . 3.760 3.511 3.285 3.699 . 0 0 "[ . 1 . 2]" 1 654 1 32 PHE QE 1 84 VAL MG1 . . 3.860 3.547 3.221 3.776 . 0 0 "[ . 1 . 2]" 1 655 1 32 PHE QE 1 84 VAL MG2 . . 3.390 3.182 2.944 3.390 . 0 0 "[ . 1 . 2]" 1 656 1 32 PHE HZ 1 46 ILE MD . . 3.930 2.559 2.007 3.065 . 0 0 "[ . 1 . 2]" 1 657 1 32 PHE HZ 1 46 ILE MG . . 3.780 3.255 2.879 3.500 . 0 0 "[ . 1 . 2]" 1 658 1 32 PHE HZ 1 58 VAL MG1 . . 4.700 4.335 3.966 4.699 . 0 0 "[ . 1 . 2]" 1 659 1 32 PHE HZ 1 70 VAL MG1 . . 3.210 2.011 1.879 2.256 . 0 0 "[ . 1 . 2]" 1 660 1 32 PHE HZ 1 70 VAL MG2 . . 4.100 3.381 3.119 3.633 . 0 0 "[ . 1 . 2]" 1 661 1 32 PHE HZ 1 82 LEU MD1 . . 3.270 2.999 2.521 3.179 . 0 0 "[ . 1 . 2]" 1 662 1 32 PHE HZ 1 82 LEU MD2 . . 4.470 3.847 3.451 4.103 . 0 0 "[ . 1 . 2]" 1 663 1 32 PHE HZ 1 84 VAL MG2 . . 3.860 3.593 3.210 3.837 . 0 0 "[ . 1 . 2]" 1 664 1 33 LEU H 1 33 LEU QB . . 3.050 2.380 2.345 2.434 . 0 0 "[ . 1 . 2]" 1 665 1 33 LEU H 1 33 LEU QD . . 4.520 3.703 3.623 3.802 . 0 0 "[ . 1 . 2]" 1 666 1 33 LEU HA 1 33 LEU QD . . 3.260 2.102 1.883 2.526 . 0 0 "[ . 1 . 2]" 1 667 1 33 LEU HA 1 33 LEU HG . . 4.000 3.255 2.608 3.726 . 0 0 "[ . 1 . 2]" 1 668 1 33 LEU HA 1 34 VAL H . . 2.740 2.251 2.185 2.309 . 0 0 "[ . 1 . 2]" 1 669 1 33 LEU HA 1 34 VAL HB . . 4.700 4.587 4.376 4.690 . 0 0 "[ . 1 . 2]" 1 670 1 33 LEU HA 1 34 VAL MG2 . . 4.500 3.527 3.296 3.838 . 0 0 "[ . 1 . 2]" 1 671 1 33 LEU HA 1 68 TYR H . . 4.450 4.206 4.010 4.404 . 0 0 "[ . 1 . 2]" 1 672 1 33 LEU HA 1 69 ASN HA . . 3.640 2.915 2.569 3.108 . 0 0 "[ . 1 . 2]" 1 673 1 33 LEU HA 1 70 VAL H . . 3.960 3.512 3.328 3.755 . 0 0 "[ . 1 . 2]" 1 674 1 33 LEU HA 1 70 VAL MG2 . . 4.790 4.486 4.021 4.782 . 0 0 "[ . 1 . 2]" 1 675 1 33 LEU QB 1 33 LEU MD1 . . 3.190 2.160 2.002 2.284 . 0 0 "[ . 1 . 2]" 1 676 1 33 LEU QB 1 33 LEU QD . . 2.690 1.927 1.786 2.040 . 0 0 "[ . 1 . 2]" 1 677 1 33 LEU QB 1 33 LEU MD2 . . 3.190 2.188 1.948 2.421 . 0 0 "[ . 1 . 2]" 1 678 1 33 LEU QB 1 34 VAL H . . 3.560 3.460 3.321 3.581 0.021 11 0 "[ . 1 . 2]" 1 679 1 33 LEU QB 1 69 ASN HA . . 4.510 4.070 3.460 4.441 . 0 0 "[ . 1 . 2]" 1 680 1 33 LEU QB 1 69 ASN HD21 . . 5.500 5.144 4.724 5.448 . 0 0 "[ . 1 . 2]" 1 681 1 33 LEU QB 1 69 ASN HD22 . . 5.480 4.994 4.621 5.305 . 0 0 "[ . 1 . 2]" 1 682 1 33 LEU QD 1 34 VAL H . . 3.290 2.316 1.753 3.087 . 0 0 "[ . 1 . 2]" 1 683 1 33 LEU QD 1 35 ASP QB . . 3.890 3.552 2.992 3.890 0.000 2 0 "[ . 1 . 2]" 1 684 1 33 LEU QD 1 67 GLN HA . . 3.910 2.826 2.360 3.662 . 0 0 "[ . 1 . 2]" 1 685 1 33 LEU QD 1 67 GLN HB2 . . 4.180 2.950 2.712 3.267 . 0 0 "[ . 1 . 2]" 1 686 1 33 LEU QD 1 67 GLN HB3 . . 3.240 1.875 1.788 2.113 . 0 0 "[ . 1 . 2]" 1 687 1 33 LEU QD 1 67 GLN QE . . 4.070 2.909 2.071 3.918 . 0 0 "[ . 1 . 2]" 1 688 1 33 LEU QD 1 67 GLN HG2 . . 3.440 2.362 2.083 2.828 . 0 0 "[ . 1 . 2]" 1 689 1 33 LEU QD 1 67 GLN HG3 . . 4.360 3.579 3.435 3.738 . 0 0 "[ . 1 . 2]" 1 690 1 33 LEU QD 1 68 TYR H . . 4.130 2.419 1.855 3.221 . 0 0 "[ . 1 . 2]" 1 691 1 33 LEU QD 1 69 ASN H . . 3.970 3.207 2.965 3.375 . 0 0 "[ . 1 . 2]" 1 692 1 33 LEU QD 1 69 ASN HA . . 3.320 2.194 1.970 2.380 . 0 0 "[ . 1 . 2]" 1 693 1 33 LEU QD 1 69 ASN HB2 . . 3.420 2.896 2.650 3.190 . 0 0 "[ . 1 . 2]" 1 694 1 33 LEU QD 1 69 ASN HB3 . . 4.340 4.028 3.823 4.278 . 0 0 "[ . 1 . 2]" 1 695 1 33 LEU QD 1 69 ASN HD21 . . 4.060 3.799 3.518 4.022 . 0 0 "[ . 1 . 2]" 1 696 1 33 LEU QD 1 69 ASN HD22 . . 4.310 4.080 3.711 4.270 . 0 0 "[ . 1 . 2]" 1 697 1 33 LEU QD 1 70 VAL H . . 4.560 3.739 3.566 3.981 . 0 0 "[ . 1 . 2]" 1 698 1 33 LEU MD1 1 34 VAL H . . 3.860 2.437 1.836 3.276 . 0 0 "[ . 1 . 2]" 1 699 1 33 LEU MD1 1 67 GLN H . . 5.500 4.826 4.577 5.449 . 0 0 "[ . 1 . 2]" 1 700 1 33 LEU MD1 1 67 GLN HA . . 5.380 3.068 2.388 4.519 . 0 0 "[ . 1 . 2]" 1 701 1 33 LEU MD1 1 67 GLN HB2 . . 4.880 3.358 2.952 3.697 . 0 0 "[ . 1 . 2]" 1 702 1 33 LEU MD1 1 67 GLN HB3 . . 3.880 2.121 1.920 2.758 . 0 0 "[ . 1 . 2]" 1 703 1 33 LEU MD1 1 68 TYR H . . 4.770 2.560 1.872 3.356 . 0 0 "[ . 1 . 2]" 1 704 1 33 LEU MD2 1 34 VAL H . . 3.860 3.023 1.941 3.839 . 0 0 "[ . 1 . 2]" 1 705 1 33 LEU MD2 1 67 GLN H . . 5.500 5.115 4.918 5.410 . 0 0 "[ . 1 . 2]" 1 706 1 33 LEU MD2 1 67 GLN HA . . 5.380 3.598 3.216 3.925 . 0 0 "[ . 1 . 2]" 1 707 1 33 LEU MD2 1 67 GLN HB2 . . 4.880 3.294 2.986 3.710 . 0 0 "[ . 1 . 2]" 1 708 1 33 LEU MD2 1 67 GLN HB3 . . 3.880 2.143 1.917 2.506 . 0 0 "[ . 1 . 2]" 1 709 1 33 LEU MD2 1 68 TYR H . . 4.770 3.233 2.140 4.148 . 0 0 "[ . 1 . 2]" 1 710 1 33 LEU HG 1 34 VAL H . . 4.430 3.275 1.941 4.366 . 0 0 "[ . 1 . 2]" 1 711 1 33 LEU HG 1 67 GLN HB2 . . 5.500 4.524 4.062 4.956 . 0 0 "[ . 1 . 2]" 1 712 1 33 LEU HG 1 67 GLN HG2 . . 5.120 4.013 3.578 4.415 . 0 0 "[ . 1 . 2]" 1 713 1 34 VAL H 1 34 VAL HB . . 3.340 2.703 2.596 2.816 . 0 0 "[ . 1 . 2]" 1 714 1 34 VAL H 1 34 VAL MG1 . . 4.040 3.873 3.772 3.928 . 0 0 "[ . 1 . 2]" 1 715 1 34 VAL H 1 34 VAL MG2 . . 3.420 2.847 2.673 3.160 . 0 0 "[ . 1 . 2]" 1 716 1 34 VAL H 1 67 GLN HA . . 4.330 4.084 3.872 4.318 . 0 0 "[ . 1 . 2]" 1 717 1 34 VAL H 1 68 TYR H . . 3.590 2.573 2.351 2.748 . 0 0 "[ . 1 . 2]" 1 718 1 34 VAL H 1 68 TYR HB2 . . 4.270 3.414 3.121 3.693 . 0 0 "[ . 1 . 2]" 1 719 1 34 VAL H 1 68 TYR HB3 . . 4.970 4.647 4.325 4.916 . 0 0 "[ . 1 . 2]" 1 720 1 34 VAL H 1 68 TYR QD . . 5.020 4.618 4.320 4.853 . 0 0 "[ . 1 . 2]" 1 721 1 34 VAL H 1 69 ASN HA . . 4.330 4.257 4.098 4.330 0.000 18 0 "[ . 1 . 2]" 1 722 1 34 VAL H 1 70 VAL MG2 . . 5.020 4.638 4.428 4.896 . 0 0 "[ . 1 . 2]" 1 723 1 34 VAL HA 1 34 VAL MG1 . . 3.310 2.369 2.258 2.465 . 0 0 "[ . 1 . 2]" 1 724 1 34 VAL HA 1 34 VAL MG2 . . 3.430 2.348 2.186 2.449 . 0 0 "[ . 1 . 2]" 1 725 1 34 VAL HA 1 35 ASP H . . 3.200 2.145 2.139 2.161 . 0 0 "[ . 1 . 2]" 1 726 1 34 VAL HA 1 35 ASP HA . . 4.570 4.401 4.382 4.414 . 0 0 "[ . 1 . 2]" 1 727 1 34 VAL HB 1 35 ASP H . . 4.630 4.298 4.191 4.448 . 0 0 "[ . 1 . 2]" 1 728 1 34 VAL HB 1 44 LEU MD1 . . 3.580 3.356 3.092 3.574 . 0 0 "[ . 1 . 2]" 1 729 1 34 VAL HB 1 44 LEU MD2 . . 3.670 2.140 1.919 2.405 . 0 0 "[ . 1 . 2]" 1 730 1 34 VAL HB 1 68 TYR H . . 3.750 3.488 3.212 3.725 . 0 0 "[ . 1 . 2]" 1 731 1 34 VAL HB 1 68 TYR HB2 . . 3.730 2.550 2.301 2.747 . 0 0 "[ . 1 . 2]" 1 732 1 34 VAL HB 1 68 TYR HB3 . . 4.470 4.094 3.772 4.389 . 0 0 "[ . 1 . 2]" 1 733 1 34 VAL HB 1 68 TYR QD . . 3.800 3.517 3.126 3.738 . 0 0 "[ . 1 . 2]" 1 734 1 34 VAL HB 1 70 VAL MG2 . . 4.540 4.380 4.140 4.541 0.001 5 0 "[ . 1 . 2]" 1 735 1 34 VAL MG1 1 35 ASP H . . 3.480 2.799 2.285 3.041 . 0 0 "[ . 1 . 2]" 1 736 1 34 VAL MG1 1 44 LEU MD2 . . 3.450 2.492 2.268 2.813 . 0 0 "[ . 1 . 2]" 1 737 1 34 VAL MG1 1 68 TYR QD . . 4.650 3.777 3.017 4.125 . 0 0 "[ . 1 . 2]" 1 738 1 34 VAL MG2 1 35 ASP H . . 4.530 4.123 3.936 4.197 . 0 0 "[ . 1 . 2]" 1 739 1 34 VAL MG2 1 44 LEU MD2 . . 3.690 2.359 1.972 2.711 . 0 0 "[ . 1 . 2]" 1 740 1 34 VAL MG2 1 68 TYR H . . 4.920 4.494 4.233 4.744 . 0 0 "[ . 1 . 2]" 1 741 1 34 VAL MG2 1 68 TYR HB2 . . 4.110 3.616 3.299 3.874 . 0 0 "[ . 1 . 2]" 1 742 1 34 VAL MG2 1 70 VAL MG2 . . 3.470 3.254 2.962 3.462 . 0 0 "[ . 1 . 2]" 1 743 1 35 ASP H 1 35 ASP HB2 . . 3.680 2.735 2.220 3.082 . 0 0 "[ . 1 . 2]" 1 744 1 35 ASP H 1 35 ASP QB . . 3.160 2.312 2.164 2.753 . 0 0 "[ . 1 . 2]" 1 745 1 35 ASP H 1 35 ASP HB3 . . 3.680 2.683 2.217 3.625 . 0 0 "[ . 1 . 2]" 1 746 1 35 ASP HA 1 36 CYS H . . 2.920 2.146 2.139 2.179 . 0 0 "[ . 1 . 2]" 1 747 1 35 ASP HA 1 37 SER H . . 4.010 3.736 3.442 4.000 . 0 0 "[ . 1 . 2]" 1 748 1 35 ASP HA 1 67 GLN HA . . 3.750 2.928 2.752 3.160 . 0 0 "[ . 1 . 2]" 1 749 1 35 ASP HA 1 67 GLN HB3 . . 4.910 4.655 4.185 4.909 . 0 0 "[ . 1 . 2]" 1 750 1 35 ASP HA 1 67 GLN HG2 . . 4.050 3.382 2.967 3.660 . 0 0 "[ . 1 . 2]" 1 751 1 35 ASP HA 1 67 GLN HG3 . . 4.500 4.364 3.988 4.501 0.001 13 0 "[ . 1 . 2]" 1 752 1 35 ASP HA 1 68 TYR H . . 4.430 4.195 3.948 4.384 . 0 0 "[ . 1 . 2]" 1 753 1 35 ASP QB 1 36 CYS H . . 3.930 3.693 3.110 3.909 . 0 0 "[ . 1 . 2]" 1 754 1 35 ASP QB 1 67 GLN HG2 . . 4.360 3.806 3.308 4.324 . 0 0 "[ . 1 . 2]" 1 755 1 35 ASP HB2 1 36 CYS H . . 4.740 4.250 3.955 4.452 . 0 0 "[ . 1 . 2]" 1 756 1 35 ASP HB3 1 36 CYS H . . 4.740 4.114 3.192 4.498 . 0 0 "[ . 1 . 2]" 1 757 1 36 CYS H 1 36 CYS QB . . 3.420 2.689 2.377 3.019 . 0 0 "[ . 1 . 2]" 1 758 1 36 CYS H 1 36 CYS HG . . 4.070 3.378 1.974 4.069 . 0 0 "[ . 1 . 2]" 1 759 1 36 CYS H 1 37 SER H . . 3.250 2.557 2.125 2.862 . 0 0 "[ . 1 . 2]" 1 760 1 36 CYS H 1 37 SER HA . . 5.160 4.353 4.182 4.570 . 0 0 "[ . 1 . 2]" 1 761 1 36 CYS H 1 37 SER QB . . 5.340 4.134 3.662 4.542 . 0 0 "[ . 1 . 2]" 1 762 1 36 CYS H 1 66 GLN HB2 . . 4.130 3.496 3.106 3.901 . 0 0 "[ . 1 . 2]" 1 763 1 36 CYS H 1 67 GLN HA . . 3.970 3.692 3.177 3.967 . 0 0 "[ . 1 . 2]" 1 764 1 36 CYS H 1 68 TYR H . . 5.250 5.004 4.780 5.234 . 0 0 "[ . 1 . 2]" 1 765 1 36 CYS H 1 68 TYR QD . . 4.420 4.185 3.879 4.419 . 0 0 "[ . 1 . 2]" 1 766 1 36 CYS H 1 68 TYR QE . . 4.870 4.545 4.098 4.868 . 0 0 "[ . 1 . 2]" 1 767 1 36 CYS HA 1 36 CYS HG . . 4.520 3.951 3.389 4.517 . 0 0 "[ . 1 . 2]" 1 768 1 36 CYS HA 1 38 LYS H . . 4.700 4.131 3.317 4.627 . 0 0 "[ . 1 . 2]" 1 769 1 36 CYS HA 1 39 ALA H . . 3.610 3.360 3.043 3.609 . 0 0 "[ . 1 . 2]" 1 770 1 36 CYS HA 1 39 ALA MB . . 3.780 2.238 2.039 2.645 . 0 0 "[ . 1 . 2]" 1 771 1 36 CYS QB 1 39 ALA MB . . 3.610 2.382 1.937 2.853 . 0 0 "[ . 1 . 2]" 1 772 1 36 CYS QB 1 66 GLN HB2 . . 5.130 4.858 4.325 5.132 0.002 18 0 "[ . 1 . 2]" 1 773 1 36 CYS QB 1 66 GLN HB3 . . 4.380 3.514 2.816 4.069 . 0 0 "[ . 1 . 2]" 1 774 1 36 CYS QB 1 68 TYR QE . . 3.700 2.902 2.223 3.696 . 0 0 "[ . 1 . 2]" 1 775 1 36 CYS QB 1 86 TRP HH2 . . 4.190 2.853 2.245 3.643 . 0 0 "[ . 1 . 2]" 1 776 1 36 CYS QB 1 86 TRP HZ2 . . 4.750 3.127 2.504 3.656 . 0 0 "[ . 1 . 2]" 1 777 1 36 CYS QB 1 86 TRP HZ3 . . 4.230 3.633 3.007 4.138 . 0 0 "[ . 1 . 2]" 1 778 1 36 CYS HB2 1 39 ALA MB . . 4.200 3.284 1.952 4.136 . 0 0 "[ . 1 . 2]" 1 779 1 36 CYS HB2 1 68 TYR QE . . 4.560 3.196 2.245 4.443 . 0 0 "[ . 1 . 2]" 1 780 1 36 CYS HB2 1 86 TRP HH2 . . 4.830 3.375 2.293 4.066 . 0 0 "[ . 1 . 2]" 1 781 1 36 CYS HB2 1 86 TRP HZ3 . . 4.800 4.201 3.472 4.799 . 0 0 "[ . 1 . 2]" 1 782 1 36 CYS HB3 1 39 ALA MB . . 4.200 2.803 1.972 3.921 . 0 0 "[ . 1 . 2]" 1 783 1 36 CYS HB3 1 68 TYR QE . . 4.560 3.821 3.451 4.214 . 0 0 "[ . 1 . 2]" 1 784 1 36 CYS HB3 1 86 TRP HH2 . . 4.830 3.245 2.454 4.586 . 0 0 "[ . 1 . 2]" 1 785 1 36 CYS HB3 1 86 TRP HZ3 . . 4.800 3.991 3.238 4.622 . 0 0 "[ . 1 . 2]" 1 786 1 36 CYS HG 1 68 TYR QD . . 4.820 2.850 2.008 4.819 . 0 0 "[ . 1 . 2]" 1 787 1 36 CYS HG 1 68 TYR QE . . 4.420 3.006 2.017 3.765 . 0 0 "[ . 1 . 2]" 1 788 1 36 CYS HG 1 86 TRP HZ3 . . 4.780 4.073 2.863 4.768 . 0 0 "[ . 1 . 2]" 1 789 1 37 SER H 1 37 SER HB2 . . 3.670 2.689 2.195 3.598 . 0 0 "[ . 1 . 2]" 1 790 1 37 SER H 1 37 SER QB . . 3.050 2.320 2.174 2.727 . 0 0 "[ . 1 . 2]" 1 791 1 37 SER H 1 37 SER HB3 . . 3.670 2.790 2.358 3.590 . 0 0 "[ . 1 . 2]" 1 792 1 37 SER H 1 38 LYS H . . 3.580 2.780 2.543 3.113 . 0 0 "[ . 1 . 2]" 1 793 1 37 SER H 1 39 ALA H . . 4.650 3.827 3.466 4.112 . 0 0 "[ . 1 . 2]" 1 794 1 37 SER H 1 66 GLN HB2 . . 4.030 3.555 3.186 3.850 . 0 0 "[ . 1 . 2]" 1 795 1 37 SER H 1 66 GLN HB3 . . 4.320 3.293 2.438 3.680 . 0 0 "[ . 1 . 2]" 1 796 1 37 SER HA 1 39 ALA H . . 4.280 4.042 3.816 4.225 . 0 0 "[ . 1 . 2]" 1 797 1 37 SER HA 1 66 GLN HB2 . . 3.920 3.186 2.798 3.730 . 0 0 "[ . 1 . 2]" 1 798 1 37 SER HA 1 66 GLN HB3 . . 4.110 2.685 2.176 3.132 . 0 0 "[ . 1 . 2]" 1 799 1 37 SER HA 1 66 GLN HG2 . . 4.490 3.189 1.999 4.208 . 0 0 "[ . 1 . 2]" 1 800 1 37 SER HA 1 66 GLN HG3 . . 4.490 2.836 1.999 4.260 . 0 0 "[ . 1 . 2]" 1 801 1 37 SER QB 1 38 LYS H . . 4.390 2.445 1.964 3.484 . 0 0 "[ . 1 . 2]" 1 802 1 37 SER QB 1 66 GLN HB2 . . 3.940 2.870 2.011 3.924 . 0 0 "[ . 1 . 2]" 1 803 1 37 SER QB 1 66 GLN HB3 . . 4.920 3.506 2.713 4.228 . 0 0 "[ . 1 . 2]" 1 804 1 37 SER QB 1 66 GLN QG . . 4.560 3.109 1.987 3.840 . 0 0 "[ . 1 . 2]" 1 805 1 37 SER HB2 1 66 GLN HB2 . . 4.670 3.251 2.222 4.541 . 0 0 "[ . 1 . 2]" 1 806 1 37 SER HB3 1 66 GLN HB2 . . 4.670 4.007 2.020 4.670 . 0 0 "[ . 1 . 2]" 1 807 1 38 LYS H 1 38 LYS HB2 . . 3.930 2.778 2.183 3.742 . 0 0 "[ . 1 . 2]" 1 808 1 38 LYS H 1 38 LYS QB . . 3.380 2.456 2.162 2.818 . 0 0 "[ . 1 . 2]" 1 809 1 38 LYS H 1 38 LYS HB3 . . 3.930 3.348 2.560 3.718 . 0 0 "[ . 1 . 2]" 1 810 1 38 LYS H 1 38 LYS QD . . 4.120 3.706 1.889 4.100 . 0 0 "[ . 1 . 2]" 1 811 1 38 LYS H 1 38 LYS QE . . 5.390 4.257 2.772 5.259 . 0 0 "[ . 1 . 2]" 1 812 1 38 LYS H 1 38 LYS QG . . 3.180 2.529 1.889 3.201 0.021 12 0 "[ . 1 . 2]" 1 813 1 38 LYS H 1 39 ALA H . . 2.870 2.694 2.268 2.866 . 0 0 "[ . 1 . 2]" 1 814 1 38 LYS H 1 39 ALA MB . . 4.340 4.029 3.745 4.312 . 0 0 "[ . 1 . 2]" 1 815 1 38 LYS HA 1 38 LYS HG2 . . 4.060 3.112 2.442 3.709 . 0 0 "[ . 1 . 2]" 1 816 1 38 LYS HA 1 38 LYS QG . . 3.490 2.811 2.242 3.343 . 0 0 "[ . 1 . 2]" 1 817 1 38 LYS HA 1 38 LYS HG3 . . 4.060 3.402 2.269 3.907 . 0 0 "[ . 1 . 2]" 1 818 1 38 LYS QB 1 38 LYS QD . . 3.480 2.245 2.045 2.631 . 0 0 "[ . 1 . 2]" 1 819 1 38 LYS QB 1 39 ALA H . . 4.200 3.554 2.859 4.042 . 0 0 "[ . 1 . 2]" 1 820 1 38 LYS QE 1 38 LYS QG . . 3.260 2.265 2.102 2.545 . 0 0 "[ . 1 . 2]" 1 821 1 38 LYS QG 1 39 ALA H . . 5.220 4.053 2.366 4.736 . 0 0 "[ . 1 . 2]" 1 822 1 39 ALA H 1 39 ALA MB . . 2.870 2.183 2.027 2.366 . 0 0 "[ . 1 . 2]" 1 823 1 39 ALA H 1 40 GLY H . . 3.070 2.685 2.291 3.061 . 0 0 "[ . 1 . 2]" 1 824 1 39 ALA H 1 40 GLY HA2 . . 5.290 4.749 4.391 5.068 . 0 0 "[ . 1 . 2]" 1 825 1 39 ALA HA 1 86 TRP HE1 . . 4.590 4.309 3.887 4.581 . 0 0 "[ . 1 . 2]" 1 826 1 39 ALA MB 1 40 GLY H . . 3.850 2.218 2.004 2.500 . 0 0 "[ . 1 . 2]" 1 827 1 39 ALA MB 1 86 TRP HD1 . . 4.240 3.885 3.509 4.199 . 0 0 "[ . 1 . 2]" 1 828 1 39 ALA MB 1 86 TRP HE1 . . 3.250 2.528 2.075 2.997 . 0 0 "[ . 1 . 2]" 1 829 1 39 ALA MB 1 86 TRP HZ2 . . 4.240 2.720 2.081 3.215 . 0 0 "[ . 1 . 2]" 1 830 1 40 GLY H 1 40 GLY HA2 . . 2.890 2.720 2.660 2.777 . 0 0 "[ . 1 . 2]" 1 831 1 40 GLY H 1 41 SER H . . 4.330 4.119 3.371 4.399 0.069 3 0 "[ . 1 . 2]" 1 832 1 40 GLY H 1 41 SER HA . . 5.440 4.569 4.251 4.687 . 0 0 "[ . 1 . 2]" 1 833 1 40 GLY HA2 1 41 SER HA . . 5.500 4.499 4.327 4.782 . 0 0 "[ . 1 . 2]" 1 834 1 40 GLY HA3 1 41 SER H . . 2.920 2.385 2.143 2.708 . 0 0 "[ . 1 . 2]" 1 835 1 41 SER H 1 41 SER HB2 . . 3.980 3.065 2.274 3.835 . 0 0 "[ . 1 . 2]" 1 836 1 41 SER H 1 41 SER QB . . 3.450 2.669 2.248 3.110 . 0 0 "[ . 1 . 2]" 1 837 1 41 SER H 1 41 SER HB3 . . 3.980 3.332 2.701 3.893 . 0 0 "[ . 1 . 2]" 1 838 1 41 SER H 1 42 ASN H . . 4.470 3.120 2.347 3.856 . 0 0 "[ . 1 . 2]" 1 839 1 41 SER H 1 86 TRP HH2 . . 5.500 5.298 4.928 5.486 . 0 0 "[ . 1 . 2]" 1 840 1 41 SER HA 1 42 ASN H . . 3.170 2.629 2.141 3.027 . 0 0 "[ . 1 . 2]" 1 841 1 41 SER HA 1 86 TRP HZ2 . . 4.330 4.012 3.365 4.322 . 0 0 "[ . 1 . 2]" 1 842 1 41 SER QB 1 42 ASN H . . 4.070 3.887 3.579 4.055 . 0 0 "[ . 1 . 2]" 1 843 1 41 SER HB2 1 42 ASN H . . 4.700 4.400 3.971 4.656 . 0 0 "[ . 1 . 2]" 1 844 1 41 SER HB3 1 42 ASN H . . 4.700 4.375 3.745 4.652 . 0 0 "[ . 1 . 2]" 1 845 1 42 ASN H 1 42 ASN HB2 . . 4.010 2.553 2.222 3.255 . 0 0 "[ . 1 . 2]" 1 846 1 42 ASN H 1 42 ASN HB3 . . 4.030 3.219 2.774 3.675 . 0 0 "[ . 1 . 2]" 1 847 1 42 ASN H 1 43 MET H . . 4.720 4.450 4.365 4.517 . 0 0 "[ . 1 . 2]" 1 848 1 42 ASN H 1 86 TRP HE1 . . 5.440 4.641 4.156 5.428 . 0 0 "[ . 1 . 2]" 1 849 1 42 ASN H 1 86 TRP HH2 . . 3.580 2.718 2.179 3.367 . 0 0 "[ . 1 . 2]" 1 850 1 42 ASN HA 1 42 ASN QD . . 4.450 3.393 2.574 3.938 . 0 0 "[ . 1 . 2]" 1 851 1 42 ASN HA 1 43 MET H . . 3.300 2.605 2.531 2.650 . 0 0 "[ . 1 . 2]" 1 852 1 42 ASN HB2 1 42 ASN HD22 . . 3.860 3.549 3.439 3.917 0.057 19 0 "[ . 1 . 2]" 1 853 1 42 ASN HB2 1 43 MET H . . 4.060 3.670 3.481 3.810 . 0 0 "[ . 1 . 2]" 1 854 1 42 ASN HB2 1 86 TRP HE1 . . 4.180 3.618 3.270 4.020 . 0 0 "[ . 1 . 2]" 1 855 1 42 ASN HB2 1 87 GLY H . . 5.500 5.296 4.691 5.501 0.001 18 0 "[ . 1 . 2]" 1 856 1 42 ASN HB3 1 43 MET H . . 3.520 2.499 1.963 2.925 . 0 0 "[ . 1 . 2]" 1 857 1 42 ASN HB3 1 86 TRP HA . . 4.760 4.648 4.381 4.767 0.007 19 0 "[ . 1 . 2]" 1 858 1 42 ASN HB3 1 86 TRP HE3 . . 4.860 4.264 3.852 4.787 . 0 0 "[ . 1 . 2]" 1 859 1 42 ASN HB3 1 87 GLY H . . 4.300 4.017 3.589 4.299 . 0 0 "[ . 1 . 2]" 1 860 1 42 ASN QD 1 43 MET H . . 5.190 3.753 3.134 4.384 . 0 0 "[ . 1 . 2]" 1 861 1 42 ASN QD 1 87 GLY HA2 . . 3.620 3.262 2.311 3.616 . 0 0 "[ . 1 . 2]" 1 862 1 42 ASN QD 1 87 GLY HA3 . . 4.090 2.262 1.880 2.708 . 0 0 "[ . 1 . 2]" 1 863 1 42 ASN QD 1 88 GLU H . . 5.340 4.963 4.507 5.232 . 0 0 "[ . 1 . 2]" 1 864 1 43 MET H 1 43 MET QB . . 3.250 2.769 2.609 2.869 . 0 0 "[ . 1 . 2]" 1 865 1 43 MET H 1 43 MET ME . . 4.920 4.513 2.855 4.897 . 0 0 "[ . 1 . 2]" 1 866 1 43 MET H 1 43 MET QG . . 3.450 2.138 1.917 2.305 . 0 0 "[ . 1 . 2]" 1 867 1 43 MET H 1 45 LEU QD . . 5.440 5.371 5.103 5.442 0.002 3 0 "[ . 1 . 2]" 1 868 1 43 MET H 1 87 GLY H . . 4.230 4.187 4.108 4.233 0.003 10 0 "[ . 1 . 2]" 1 869 1 43 MET H 1 87 GLY HA2 . . 4.890 3.770 3.345 4.220 . 0 0 "[ . 1 . 2]" 1 870 1 43 MET HA 1 43 MET ME . . 4.190 4.113 3.988 4.187 . 0 0 "[ . 1 . 2]" 1 871 1 43 MET HA 1 44 LEU H . . 3.100 2.250 2.163 2.586 . 0 0 "[ . 1 . 2]" 1 872 1 43 MET HA 1 44 LEU QB . . 4.390 3.981 3.921 4.031 . 0 0 "[ . 1 . 2]" 1 873 1 43 MET QB 1 44 LEU H . . 4.040 2.838 2.082 3.119 . 0 0 "[ . 1 . 2]" 1 874 1 43 MET HB2 1 43 MET ME . . 4.020 2.218 1.984 3.593 . 0 0 "[ . 1 . 2]" 1 875 1 43 MET HB3 1 43 MET ME . . 4.020 3.419 3.211 4.031 0.011 8 0 "[ . 1 . 2]" 1 876 1 43 MET ME 1 45 LEU HA . . 4.000 3.711 3.382 3.998 . 0 0 "[ . 1 . 2]" 1 877 1 43 MET ME 1 45 LEU HB3 . . 2.900 2.134 1.905 2.691 . 0 0 "[ . 1 . 2]" 1 878 1 43 MET ME 1 45 LEU MD1 . . 4.460 3.558 2.810 4.461 0.001 4 0 "[ . 1 . 2]" 1 879 1 43 MET ME 1 45 LEU QD . . 3.700 2.820 1.851 3.496 . 0 0 "[ . 1 . 2]" 1 880 1 43 MET ME 1 45 LEU MD2 . . 4.460 3.532 1.856 4.432 . 0 0 "[ . 1 . 2]" 1 881 1 43 MET QG 1 44 LEU H . . 4.220 4.006 3.696 4.221 0.001 4 0 "[ . 1 . 2]" 1 882 1 43 MET QG 1 44 LEU HA . . 4.730 4.271 3.870 4.724 . 0 0 "[ . 1 . 2]" 1 883 1 43 MET QG 1 45 LEU H . . 5.500 4.638 4.095 5.406 . 0 0 "[ . 1 . 2]" 1 884 1 43 MET QG 1 45 LEU HB3 . . 4.380 4.080 3.659 4.382 0.002 8 0 "[ . 1 . 2]" 1 885 1 43 MET QG 1 45 LEU QD . . 3.770 3.466 3.198 3.772 0.002 1 0 "[ . 1 . 2]" 1 886 1 43 MET QG 1 87 GLY H . . 4.350 3.506 3.097 3.868 . 0 0 "[ . 1 . 2]" 1 887 1 43 MET QG 1 87 GLY HA2 . . 4.680 3.189 2.300 3.629 . 0 0 "[ . 1 . 2]" 1 888 1 43 MET QG 1 87 GLY HA3 . . 4.530 4.107 3.146 4.533 0.003 13 0 "[ . 1 . 2]" 1 889 1 44 LEU H 1 44 LEU HB2 . . 3.670 2.723 2.563 2.975 . 0 0 "[ . 1 . 2]" 1 890 1 44 LEU H 1 44 LEU QB . . 3.200 2.387 2.321 2.545 . 0 0 "[ . 1 . 2]" 1 891 1 44 LEU H 1 44 LEU HB3 . . 3.670 2.651 2.518 2.776 . 0 0 "[ . 1 . 2]" 1 892 1 44 LEU H 1 44 LEU MD1 . . 4.560 4.213 4.045 4.431 . 0 0 "[ . 1 . 2]" 1 893 1 44 LEU H 1 44 LEU MD2 . . 4.700 4.367 4.265 4.508 . 0 0 "[ . 1 . 2]" 1 894 1 44 LEU H 1 44 LEU HG . . 4.730 4.535 4.479 4.586 . 0 0 "[ . 1 . 2]" 1 895 1 44 LEU H 1 45 LEU H . . 4.730 4.351 4.143 4.552 . 0 0 "[ . 1 . 2]" 1 896 1 44 LEU H 1 86 TRP HE3 . . 4.750 4.354 3.923 4.696 . 0 0 "[ . 1 . 2]" 1 897 1 44 LEU H 1 86 TRP HZ3 . . 4.670 3.230 2.735 3.796 . 0 0 "[ . 1 . 2]" 1 898 1 44 LEU HA 1 44 LEU MD1 . . 3.350 2.350 1.975 2.619 . 0 0 "[ . 1 . 2]" 1 899 1 44 LEU HA 1 44 LEU MD2 . . 4.310 3.883 3.845 3.919 . 0 0 "[ . 1 . 2]" 1 900 1 44 LEU HA 1 44 LEU HG . . 4.080 2.788 2.635 3.051 . 0 0 "[ . 1 . 2]" 1 901 1 44 LEU HA 1 45 LEU H . . 2.890 2.152 2.140 2.208 . 0 0 "[ . 1 . 2]" 1 902 1 44 LEU HA 1 45 LEU QD . . 4.400 3.587 2.900 4.426 0.026 8 0 "[ . 1 . 2]" 1 903 1 44 LEU HA 1 86 TRP HA . . 4.040 3.080 2.851 3.392 . 0 0 "[ . 1 . 2]" 1 904 1 44 LEU HA 1 86 TRP HE3 . . 3.830 2.446 2.153 2.762 . 0 0 "[ . 1 . 2]" 1 905 1 44 LEU HA 1 86 TRP HZ3 . . 4.580 3.358 3.001 3.687 . 0 0 "[ . 1 . 2]" 1 906 1 44 LEU HA 1 87 GLY H . . 4.460 3.792 3.222 4.338 . 0 0 "[ . 1 . 2]" 1 907 1 44 LEU QB 1 44 LEU MD1 . . 3.150 2.119 1.987 2.294 . 0 0 "[ . 1 . 2]" 1 908 1 44 LEU QB 1 68 TYR QE . . 4.690 3.259 2.985 3.622 . 0 0 "[ . 1 . 2]" 1 909 1 44 LEU QB 1 86 TRP HE3 . . 3.960 2.840 2.461 3.130 . 0 0 "[ . 1 . 2]" 1 910 1 44 LEU QB 1 86 TRP HZ3 . . 3.550 2.133 1.991 2.387 . 0 0 "[ . 1 . 2]" 1 911 1 44 LEU HB2 1 44 LEU MD2 . . 3.560 2.542 2.360 2.623 . 0 0 "[ . 1 . 2]" 1 912 1 44 LEU HB2 1 86 TRP HE3 . . 4.660 2.880 2.485 3.190 . 0 0 "[ . 1 . 2]" 1 913 1 44 LEU HB2 1 86 TRP HZ3 . . 4.250 2.145 2.002 2.403 . 0 0 "[ . 1 . 2]" 1 914 1 44 LEU HB3 1 44 LEU MD2 . . 3.560 2.197 2.016 2.342 . 0 0 "[ . 1 . 2]" 1 915 1 44 LEU HB3 1 86 TRP HE3 . . 4.660 4.353 3.980 4.542 . 0 0 "[ . 1 . 2]" 1 916 1 44 LEU HB3 1 86 TRP HZ3 . . 4.250 3.751 3.516 4.099 . 0 0 "[ . 1 . 2]" 1 917 1 44 LEU MD1 1 45 LEU H . . 3.530 3.316 3.073 3.530 . 0 0 "[ . 1 . 2]" 1 918 1 44 LEU MD1 1 86 TRP H . . 5.190 4.782 4.524 4.953 . 0 0 "[ . 1 . 2]" 1 919 1 44 LEU MD1 1 86 TRP HA . . 4.090 2.901 2.498 3.267 . 0 0 "[ . 1 . 2]" 1 920 1 44 LEU MD1 1 86 TRP HB2 . . 4.730 2.877 2.406 3.316 . 0 0 "[ . 1 . 2]" 1 921 1 44 LEU MD1 1 86 TRP QB . . 4.160 2.836 2.386 3.249 . 0 0 "[ . 1 . 2]" 1 922 1 44 LEU MD1 1 86 TRP HB3 . . 4.730 4.322 3.929 4.718 . 0 0 "[ . 1 . 2]" 1 923 1 44 LEU MD1 1 86 TRP HE3 . . 3.530 1.923 1.843 2.020 . 0 0 "[ . 1 . 2]" 1 924 1 44 LEU MD1 1 86 TRP HZ3 . . 3.920 2.886 2.620 3.161 . 0 0 "[ . 1 . 2]" 1 925 1 44 LEU MD2 1 45 LEU H . . 5.070 4.540 3.944 4.906 . 0 0 "[ . 1 . 2]" 1 926 1 44 LEU MD2 1 60 MET ME . . 4.100 3.838 3.166 4.098 . 0 0 "[ . 1 . 2]" 1 927 1 44 LEU MD2 1 68 TYR HB2 . . 4.090 1.943 1.826 2.053 . 0 0 "[ . 1 . 2]" 1 928 1 44 LEU MD2 1 68 TYR HB3 . . 3.850 2.297 2.055 2.551 . 0 0 "[ . 1 . 2]" 1 929 1 44 LEU MD2 1 68 TYR QD . . 3.770 2.560 2.062 3.011 . 0 0 "[ . 1 . 2]" 1 930 1 44 LEU MD2 1 68 TYR QE . . 4.320 3.886 3.482 4.312 . 0 0 "[ . 1 . 2]" 1 931 1 44 LEU MD2 1 86 TRP HE3 . . 4.730 4.235 4.094 4.441 . 0 0 "[ . 1 . 2]" 1 932 1 44 LEU MD2 1 86 TRP HZ3 . . 4.500 4.114 3.724 4.429 . 0 0 "[ . 1 . 2]" 1 933 1 44 LEU HG 1 45 LEU H . . 3.570 3.053 2.334 3.568 . 0 0 "[ . 1 . 2]" 1 934 1 44 LEU HG 1 60 MET ME . . 4.470 4.119 3.268 4.418 . 0 0 "[ . 1 . 2]" 1 935 1 44 LEU HG 1 86 TRP HE3 . . 4.750 4.027 3.670 4.532 . 0 0 "[ . 1 . 2]" 1 936 1 44 LEU HG 1 86 TRP HZ3 . . 4.880 4.861 4.785 4.881 0.001 8 0 "[ . 1 . 2]" 1 937 1 45 LEU H 1 45 LEU HB2 . . 4.000 3.818 3.733 3.919 . 0 0 "[ . 1 . 2]" 1 938 1 45 LEU H 1 45 LEU HB3 . . 3.670 2.956 2.823 3.192 . 0 0 "[ . 1 . 2]" 1 939 1 45 LEU H 1 45 LEU MD1 . . 4.200 2.532 1.725 3.773 . 0 0 "[ . 1 . 2]" 1 940 1 45 LEU H 1 45 LEU QD . . 3.400 2.315 1.720 3.275 . 0 0 "[ . 1 . 2]" 1 941 1 45 LEU H 1 45 LEU MD2 . . 4.200 3.443 3.216 3.657 . 0 0 "[ . 1 . 2]" 1 942 1 45 LEU H 1 45 LEU HG . . 4.030 3.296 2.236 4.035 0.005 1 0 "[ . 1 . 2]" 1 943 1 45 LEU H 1 46 ILE H . . 4.800 4.471 4.412 4.524 . 0 0 "[ . 1 . 2]" 1 944 1 45 LEU H 1 60 MET ME . . 5.500 4.349 3.995 4.573 . 0 0 "[ . 1 . 2]" 1 945 1 45 LEU H 1 86 TRP HA . . 4.600 3.732 3.534 4.018 . 0 0 "[ . 1 . 2]" 1 946 1 45 LEU H 1 86 TRP HE3 . . 4.560 4.229 3.971 4.521 . 0 0 "[ . 1 . 2]" 1 947 1 45 LEU H 1 87 GLY H . . 4.750 4.109 3.479 4.454 . 0 0 "[ . 1 . 2]" 1 948 1 45 LEU HA 1 45 LEU MD1 . . 4.200 3.492 3.383 3.603 . 0 0 "[ . 1 . 2]" 1 949 1 45 LEU HA 1 45 LEU QD . . 3.440 3.164 3.030 3.377 . 0 0 "[ . 1 . 2]" 1 950 1 45 LEU HA 1 45 LEU MD2 . . 4.200 3.663 3.353 4.096 . 0 0 "[ . 1 . 2]" 1 951 1 45 LEU HA 1 46 ILE H . . 2.880 2.416 2.309 2.491 . 0 0 "[ . 1 . 2]" 1 952 1 45 LEU HA 1 46 ILE HA . . 4.660 4.444 4.412 4.477 . 0 0 "[ . 1 . 2]" 1 953 1 45 LEU HA 1 46 ILE HB . . 4.850 4.685 4.592 4.846 . 0 0 "[ . 1 . 2]" 1 954 1 45 LEU HA 1 46 ILE MD . . 4.520 4.154 3.831 4.472 . 0 0 "[ . 1 . 2]" 1 955 1 45 LEU HA 1 60 MET ME . . 3.980 2.122 1.866 2.413 . 0 0 "[ . 1 . 2]" 1 956 1 45 LEU HB2 1 45 LEU MD1 . . 3.580 2.755 1.994 3.190 . 0 0 "[ . 1 . 2]" 1 957 1 45 LEU HB2 1 45 LEU QD . . 2.880 2.088 1.939 2.160 . 0 0 "[ . 1 . 2]" 1 958 1 45 LEU HB2 1 45 LEU MD2 . . 3.580 2.361 2.088 2.717 . 0 0 "[ . 1 . 2]" 1 959 1 45 LEU HB2 1 46 ILE H . . 3.720 2.479 2.334 2.710 . 0 0 "[ . 1 . 2]" 1 960 1 45 LEU HB3 1 45 LEU QD . . 3.030 2.233 1.951 2.377 . 0 0 "[ . 1 . 2]" 1 961 1 45 LEU HB3 1 46 ILE H . . 4.130 3.871 3.780 4.009 . 0 0 "[ . 1 . 2]" 1 962 1 45 LEU QD 1 46 ILE H . . 3.840 2.449 2.209 2.825 . 0 0 "[ . 1 . 2]" 1 963 1 45 LEU QD 1 46 ILE HA . . 3.980 2.752 2.569 3.154 . 0 0 "[ . 1 . 2]" 1 964 1 45 LEU QD 1 46 ILE MD . . 4.560 3.773 3.432 4.354 . 0 0 "[ . 1 . 2]" 1 965 1 45 LEU QD 1 47 GLY H . . 3.940 3.566 3.372 3.866 . 0 0 "[ . 1 . 2]" 1 966 1 45 LEU QD 1 47 GLY HA2 . . 4.150 3.881 3.728 4.045 . 0 0 "[ . 1 . 2]" 1 967 1 45 LEU QD 1 47 GLY HA3 . . 4.170 3.686 3.588 3.817 . 0 0 "[ . 1 . 2]" 1 968 1 45 LEU QD 1 60 MET ME . . 4.390 3.975 3.609 4.310 . 0 0 "[ . 1 . 2]" 1 969 1 45 LEU QD 1 85 LYS H . . 4.480 2.668 2.303 3.235 . 0 0 "[ . 1 . 2]" 1 970 1 45 LEU QD 1 85 LYS HB2 . . 4.170 1.920 1.712 2.236 . 0 0 "[ . 1 . 2]" 1 971 1 45 LEU QD 1 85 LYS HB3 . . 3.670 2.607 2.129 3.104 . 0 0 "[ . 1 . 2]" 1 972 1 45 LEU QD 1 85 LYS QD . . 3.630 2.549 2.056 2.978 . 0 0 "[ . 1 . 2]" 1 973 1 45 LEU QD 1 85 LYS HE2 . . 3.760 3.497 3.210 3.707 . 0 0 "[ . 1 . 2]" 1 974 1 45 LEU QD 1 86 TRP HA . . 4.420 3.759 3.166 4.424 0.004 13 0 "[ . 1 . 2]" 1 975 1 45 LEU QD 1 87 GLY H . . 3.940 3.110 2.705 3.603 . 0 0 "[ . 1 . 2]" 1 976 1 45 LEU QD 1 87 GLY HA2 . . 4.610 4.016 3.580 4.318 . 0 0 "[ . 1 . 2]" 1 977 1 45 LEU QD 1 87 GLY HA3 . . 5.440 5.089 4.679 5.436 . 0 0 "[ . 1 . 2]" 1 978 1 45 LEU QD 1 88 GLU H . . 4.270 3.507 3.109 3.712 . 0 0 "[ . 1 . 2]" 1 979 1 45 LEU QD 1 88 GLU HA . . 4.850 4.601 4.002 4.852 0.002 12 0 "[ . 1 . 2]" 1 980 1 45 LEU MD1 1 46 ILE H . . 4.770 3.520 2.641 4.176 . 0 0 "[ . 1 . 2]" 1 981 1 45 LEU MD1 1 46 ILE HA . . 5.500 3.584 2.854 4.233 . 0 0 "[ . 1 . 2]" 1 982 1 45 LEU MD1 1 85 LYS H . . 5.230 2.860 2.615 3.289 . 0 0 "[ . 1 . 2]" 1 983 1 45 LEU MD1 1 85 LYS HB2 . . 4.900 2.002 1.806 2.315 . 0 0 "[ . 1 . 2]" 1 984 1 45 LEU MD1 1 85 LYS HB3 . . 5.110 2.803 2.148 3.613 . 0 0 "[ . 1 . 2]" 1 985 1 45 LEU MD2 1 46 ILE H . . 4.770 3.222 2.222 4.750 . 0 0 "[ . 1 . 2]" 1 986 1 45 LEU MD2 1 46 ILE HA . . 5.500 3.779 2.599 5.515 0.015 8 0 "[ . 1 . 2]" 1 987 1 45 LEU MD2 1 85 LYS H . . 5.230 3.522 2.557 4.818 . 0 0 "[ . 1 . 2]" 1 988 1 45 LEU MD2 1 85 LYS HB2 . . 4.900 2.578 2.077 3.253 . 0 0 "[ . 1 . 2]" 1 989 1 45 LEU MD2 1 85 LYS HB3 . . 5.110 3.533 3.130 3.881 . 0 0 "[ . 1 . 2]" 1 990 1 45 LEU HG 1 46 ILE H . . 4.800 4.344 4.199 4.510 . 0 0 "[ . 1 . 2]" 1 991 1 45 LEU HG 1 46 ILE HA . . 5.500 5.114 4.494 5.508 0.008 19 0 "[ . 1 . 2]" 1 992 1 45 LEU HG 1 85 LYS HB2 . . 4.130 3.263 2.284 3.980 . 0 0 "[ . 1 . 2]" 1 993 1 45 LEU HG 1 85 LYS HB3 . . 4.760 4.172 3.242 4.761 0.001 12 0 "[ . 1 . 2]" 1 994 1 46 ILE H 1 46 ILE HB . . 3.560 2.762 2.674 2.931 . 0 0 "[ . 1 . 2]" 1 995 1 46 ILE H 1 46 ILE MD . . 4.480 3.775 3.631 3.965 . 0 0 "[ . 1 . 2]" 1 996 1 46 ILE H 1 46 ILE HG12 . . 4.220 2.776 2.596 2.928 . 0 0 "[ . 1 . 2]" 1 997 1 46 ILE H 1 46 ILE QG . . 3.560 2.734 2.563 2.877 . 0 0 "[ . 1 . 2]" 1 998 1 46 ILE H 1 46 ILE HG13 . . 4.220 4.106 3.871 4.220 . 0 0 "[ . 1 . 2]" 1 999 1 46 ILE H 1 46 ILE MG . . 3.950 3.903 3.866 3.961 0.011 1 0 "[ . 1 . 2]" 1 1000 1 46 ILE H 1 47 GLY H . . 4.630 4.447 4.416 4.483 . 0 0 "[ . 1 . 2]" 1 1001 1 46 ILE H 1 47 GLY HA2 . . 5.060 4.878 4.825 4.948 . 0 0 "[ . 1 . 2]" 1 1002 1 46 ILE H 1 60 MET ME . . 3.860 2.627 2.275 3.025 . 0 0 "[ . 1 . 2]" 1 1003 1 46 ILE HA 1 46 ILE MD . . 3.620 2.176 1.999 2.295 . 0 0 "[ . 1 . 2]" 1 1004 1 46 ILE HA 1 46 ILE MG . . 3.400 2.284 2.116 2.376 . 0 0 "[ . 1 . 2]" 1 1005 1 46 ILE HA 1 47 GLY H . . 2.880 2.269 2.218 2.324 . 0 0 "[ . 1 . 2]" 1 1006 1 46 ILE HA 1 48 VAL MG1 . . 5.500 4.975 4.771 5.173 . 0 0 "[ . 1 . 2]" 1 1007 1 46 ILE HA 1 82 LEU MD1 . . 5.500 4.774 4.467 4.997 . 0 0 "[ . 1 . 2]" 1 1008 1 46 ILE HA 1 83 ALA MB . . 5.500 4.720 4.388 5.113 . 0 0 "[ . 1 . 2]" 1 1009 1 46 ILE HA 1 84 VAL HA . . 3.870 2.846 2.614 3.098 . 0 0 "[ . 1 . 2]" 1 1010 1 46 ILE HA 1 84 VAL MG1 . . 4.390 3.787 3.425 4.277 . 0 0 "[ . 1 . 2]" 1 1011 1 46 ILE HA 1 84 VAL MG2 . . 4.430 3.908 3.555 4.314 . 0 0 "[ . 1 . 2]" 1 1012 1 46 ILE HA 1 85 LYS H . . 4.250 3.283 3.050 3.482 . 0 0 "[ . 1 . 2]" 1 1013 1 46 ILE HB 1 46 ILE MD . . 3.530 3.217 3.196 3.230 . 0 0 "[ . 1 . 2]" 1 1014 1 46 ILE HB 1 47 GLY H . . 3.930 3.788 3.556 3.917 . 0 0 "[ . 1 . 2]" 1 1015 1 46 ILE HB 1 48 VAL MG1 . . 4.570 3.787 3.494 3.981 . 0 0 "[ . 1 . 2]" 1 1016 1 46 ILE HB 1 48 VAL MG2 . . 5.070 4.433 4.171 4.899 . 0 0 "[ . 1 . 2]" 1 1017 1 46 ILE HB 1 58 VAL MG1 . . 3.680 3.026 2.821 3.186 . 0 0 "[ . 1 . 2]" 1 1018 1 46 ILE HB 1 58 VAL MG2 . . 4.550 4.242 4.115 4.470 . 0 0 "[ . 1 . 2]" 1 1019 1 46 ILE HB 1 60 MET ME . . 3.970 3.368 3.175 3.716 . 0 0 "[ . 1 . 2]" 1 1020 1 46 ILE HB 1 70 VAL MG1 . . 5.270 3.927 3.784 4.151 . 0 0 "[ . 1 . 2]" 1 1021 1 46 ILE HB 1 70 VAL MG2 . . 5.210 4.762 4.505 5.047 . 0 0 "[ . 1 . 2]" 1 1022 1 46 ILE MD 1 47 GLY H . . 4.250 3.585 3.361 3.867 . 0 0 "[ . 1 . 2]" 1 1023 1 46 ILE MD 1 60 MET ME . . 3.530 3.334 2.905 3.530 . 0 0 "[ . 1 . 2]" 1 1024 1 46 ILE MD 1 60 MET QG . . 4.350 4.072 3.618 4.305 . 0 0 "[ . 1 . 2]" 1 1025 1 46 ILE MD 1 70 VAL MG1 . . 3.240 2.722 2.126 3.024 . 0 0 "[ . 1 . 2]" 1 1026 1 46 ILE MD 1 70 VAL MG2 . . 3.040 2.737 2.090 3.019 . 0 0 "[ . 1 . 2]" 1 1027 1 46 ILE MD 1 85 LYS H . . 4.170 3.544 3.216 3.929 . 0 0 "[ . 1 . 2]" 1 1028 1 46 ILE QG 1 47 GLY H . . 5.300 4.484 4.422 4.559 . 0 0 "[ . 1 . 2]" 1 1029 1 46 ILE QG 1 70 VAL MG2 . . 3.480 2.630 2.413 2.887 . 0 0 "[ . 1 . 2]" 1 1030 1 46 ILE HG12 1 46 ILE MG . . 3.430 3.192 3.169 3.201 . 0 0 "[ . 1 . 2]" 1 1031 1 46 ILE HG12 1 58 VAL MG1 . . 4.170 4.139 4.061 4.172 0.002 18 0 "[ . 1 . 2]" 1 1032 1 46 ILE HG12 1 60 MET ME . . 4.130 2.003 1.919 2.121 . 0 0 "[ . 1 . 2]" 1 1033 1 46 ILE HG12 1 60 MET QG . . 4.520 3.490 3.272 3.694 . 0 0 "[ . 1 . 2]" 1 1034 1 46 ILE HG12 1 70 VAL MG1 . . 4.160 3.469 3.189 3.739 . 0 0 "[ . 1 . 2]" 1 1035 1 46 ILE HG12 1 70 VAL MG2 . . 4.170 3.267 3.043 3.477 . 0 0 "[ . 1 . 2]" 1 1036 1 46 ILE HG13 1 46 ILE MG . . 3.430 2.388 2.252 2.586 . 0 0 "[ . 1 . 2]" 1 1037 1 46 ILE HG13 1 58 VAL MG1 . . 4.170 3.135 2.895 3.276 . 0 0 "[ . 1 . 2]" 1 1038 1 46 ILE HG13 1 60 MET ME . . 4.130 3.006 2.718 3.300 . 0 0 "[ . 1 . 2]" 1 1039 1 46 ILE HG13 1 60 MET QG . . 4.520 2.940 2.575 3.219 . 0 0 "[ . 1 . 2]" 1 1040 1 46 ILE HG13 1 70 VAL MG1 . . 4.160 2.079 1.966 2.296 . 0 0 "[ . 1 . 2]" 1 1041 1 46 ILE HG13 1 70 VAL MG2 . . 4.170 2.779 2.504 3.088 . 0 0 "[ . 1 . 2]" 1 1042 1 46 ILE MG 1 47 GLY H . . 3.530 2.056 1.908 2.284 . 0 0 "[ . 1 . 2]" 1 1043 1 46 ILE MG 1 48 VAL H . . 4.850 2.109 1.916 2.471 . 0 0 "[ . 1 . 2]" 1 1044 1 46 ILE MG 1 48 VAL HA . . 4.250 3.495 3.382 3.617 . 0 0 "[ . 1 . 2]" 1 1045 1 46 ILE MG 1 48 VAL MG1 . . 3.110 2.060 1.898 2.242 . 0 0 "[ . 1 . 2]" 1 1046 1 46 ILE MG 1 48 VAL MG2 . . 3.560 3.264 2.906 3.552 . 0 0 "[ . 1 . 2]" 1 1047 1 46 ILE MG 1 60 MET ME . . 4.310 4.266 4.153 4.311 0.001 14 0 "[ . 1 . 2]" 1 1048 1 46 ILE MG 1 60 MET QG . . 4.640 4.407 4.159 4.624 . 0 0 "[ . 1 . 2]" 1 1049 1 46 ILE MG 1 70 VAL MG1 . . 3.830 3.106 2.809 3.391 . 0 0 "[ . 1 . 2]" 1 1050 1 46 ILE MG 1 82 LEU MD1 . . 3.220 2.610 2.425 2.808 . 0 0 "[ . 1 . 2]" 1 1051 1 46 ILE MG 1 82 LEU HG . . 4.520 4.381 4.225 4.507 . 0 0 "[ . 1 . 2]" 1 1052 1 46 ILE MG 1 83 ALA H . . 4.800 3.724 3.364 4.078 . 0 0 "[ . 1 . 2]" 1 1053 1 47 GLY H 1 48 VAL H . . 4.600 2.990 2.878 3.181 . 0 0 "[ . 1 . 2]" 1 1054 1 47 GLY H 1 48 VAL HA . . 4.490 4.270 4.199 4.338 . 0 0 "[ . 1 . 2]" 1 1055 1 47 GLY H 1 48 VAL MG1 . . 4.050 4.013 3.889 4.055 0.005 19 0 "[ . 1 . 2]" 1 1056 1 47 GLY H 1 82 LEU MD1 . . 4.420 4.284 3.979 4.420 . 0 0 "[ . 1 . 2]" 1 1057 1 47 GLY H 1 83 ALA H . . 4.200 4.040 3.860 4.170 . 0 0 "[ . 1 . 2]" 1 1058 1 47 GLY H 1 83 ALA MB . . 3.720 3.071 2.658 3.461 . 0 0 "[ . 1 . 2]" 1 1059 1 47 GLY H 1 85 LYS HB2 . . 5.500 5.472 5.349 5.506 0.006 4 0 "[ . 1 . 2]" 1 1060 1 47 GLY HA2 1 48 VAL H . . 3.250 2.644 2.540 2.696 . 0 0 "[ . 1 . 2]" 1 1061 1 47 GLY HA2 1 48 VAL HA . . 4.740 4.727 4.659 4.758 0.018 19 0 "[ . 1 . 2]" 1 1062 1 47 GLY HA2 1 48 VAL MG1 . . 4.780 4.546 4.323 4.691 . 0 0 "[ . 1 . 2]" 1 1063 1 47 GLY HA2 1 83 ALA MB . . 4.440 4.317 4.092 4.439 . 0 0 "[ . 1 . 2]" 1 1064 1 47 GLY HA3 1 83 ALA MB . . 4.600 3.073 2.823 3.298 . 0 0 "[ . 1 . 2]" 1 1065 1 48 VAL H 1 48 VAL HB . . 3.790 3.622 3.607 3.634 . 0 0 "[ . 1 . 2]" 1 1066 1 48 VAL H 1 48 VAL MG1 . . 3.740 2.266 2.007 2.461 . 0 0 "[ . 1 . 2]" 1 1067 1 48 VAL H 1 48 VAL MG2 . . 4.290 2.135 1.909 2.379 . 0 0 "[ . 1 . 2]" 1 1068 1 48 VAL H 1 49 HIS H . . 4.940 4.480 4.203 4.634 . 0 0 "[ . 1 . 2]" 1 1069 1 48 VAL H 1 58 VAL MG2 . . 4.530 4.110 3.976 4.264 . 0 0 "[ . 1 . 2]" 1 1070 1 48 VAL H 1 83 ALA H . . 5.010 4.701 4.526 4.959 . 0 0 "[ . 1 . 2]" 1 1071 1 48 VAL H 1 83 ALA MB . . 5.010 4.389 3.971 4.591 . 0 0 "[ . 1 . 2]" 1 1072 1 48 VAL HA 1 48 VAL MG1 . . 3.250 2.253 2.138 2.335 . 0 0 "[ . 1 . 2]" 1 1073 1 48 VAL HA 1 48 VAL MG2 . . 3.280 3.187 3.174 3.202 . 0 0 "[ . 1 . 2]" 1 1074 1 48 VAL HA 1 49 HIS H . . 2.930 2.176 2.141 2.253 . 0 0 "[ . 1 . 2]" 1 1075 1 48 VAL HA 1 83 ALA H . . 4.540 3.114 2.780 3.398 . 0 0 "[ . 1 . 2]" 1 1076 1 48 VAL HB 1 55 CYS QB . . 3.790 3.494 2.921 3.772 . 0 0 "[ . 1 . 2]" 1 1077 1 48 VAL HB 1 58 VAL MG2 . . 4.220 3.992 3.621 4.199 . 0 0 "[ . 1 . 2]" 1 1078 1 48 VAL MG1 1 55 CYS QB . . 4.010 3.390 2.902 3.647 . 0 0 "[ . 1 . 2]" 1 1079 1 48 VAL MG1 1 58 VAL MG1 . . 3.210 3.035 2.705 3.187 . 0 0 "[ . 1 . 2]" 1 1080 1 48 VAL MG1 1 58 VAL MG2 . . 3.140 2.169 1.979 2.434 . 0 0 "[ . 1 . 2]" 1 1081 1 48 VAL MG1 1 72 TYR HB2 . . 4.280 4.131 3.999 4.278 . 0 0 "[ . 1 . 2]" 1 1082 1 48 VAL MG1 1 72 TYR HB3 . . 3.850 3.805 3.659 3.851 0.001 7 0 "[ . 1 . 2]" 1 1083 1 48 VAL MG2 1 49 HIS H . . 4.230 4.072 3.633 4.255 0.025 19 0 "[ . 1 . 2]" 1 1084 1 48 VAL MG2 1 55 CYS QB . . 3.760 3.343 2.815 3.734 . 0 0 "[ . 1 . 2]" 1 1085 1 48 VAL MG2 1 58 VAL HB . . 5.160 4.241 3.805 4.803 . 0 0 "[ . 1 . 2]" 1 1086 1 49 HIS H 1 49 HIS HB2 . . 3.910 2.806 2.177 3.619 . 0 0 "[ . 1 . 2]" 1 1087 1 49 HIS H 1 49 HIS QB . . 3.390 2.345 2.148 2.626 . 0 0 "[ . 1 . 2]" 1 1088 1 49 HIS H 1 49 HIS HB3 . . 3.910 2.802 2.466 3.490 . 0 0 "[ . 1 . 2]" 1 1089 1 49 HIS H 1 50 GLY H . . 5.020 4.600 4.528 4.647 . 0 0 "[ . 1 . 2]" 1 1090 1 49 HIS H 1 81 VAL HB . . 4.660 4.406 4.071 4.662 0.002 13 0 "[ . 1 . 2]" 1 1091 1 49 HIS HA 1 49 HIS HD2 . . 4.910 4.094 3.273 4.739 . 0 0 "[ . 1 . 2]" 1 1092 1 49 HIS HA 1 50 GLY H . . 2.940 2.280 2.216 2.387 . 0 0 "[ . 1 . 2]" 1 1093 1 49 HIS HA 1 50 GLY QA . . 4.860 3.898 3.888 3.918 . 0 0 "[ . 1 . 2]" 1 1094 1 49 HIS HA 1 51 PRO HD2 . . 4.870 4.849 4.789 4.872 0.002 12 0 "[ . 1 . 2]" 1 1095 1 49 HIS QB 1 50 GLY H . . 3.960 3.081 2.464 3.504 . 0 0 "[ . 1 . 2]" 1 1096 1 49 HIS QB 1 51 PRO HA . . 5.340 5.271 5.097 5.358 0.018 12 0 "[ . 1 . 2]" 1 1097 1 49 HIS QB 1 51 PRO HD2 . . 3.580 3.418 3.165 3.523 . 0 0 "[ . 1 . 2]" 1 1098 1 49 HIS QB 1 51 PRO HD3 . . 3.770 2.143 1.990 2.256 . 0 0 "[ . 1 . 2]" 1 1099 1 49 HIS QB 1 51 PRO QG . . 3.850 3.387 3.170 3.633 . 0 0 "[ . 1 . 2]" 1 1100 1 49 HIS QB 1 81 VAL HB . . 4.180 2.864 2.386 3.403 . 0 0 "[ . 1 . 2]" 1 1101 1 49 HIS QB 1 81 VAL MG1 . . 4.140 3.198 2.750 3.838 . 0 0 "[ . 1 . 2]" 1 1102 1 49 HIS HB2 1 50 GLY H . . 4.670 3.652 2.495 4.264 . 0 0 "[ . 1 . 2]" 1 1103 1 49 HIS HB2 1 81 VAL MG1 . . 4.810 3.908 3.041 4.807 . 0 0 "[ . 1 . 2]" 1 1104 1 49 HIS HB3 1 50 GLY H . . 4.670 3.667 2.994 3.935 . 0 0 "[ . 1 . 2]" 1 1105 1 49 HIS HB3 1 81 VAL MG1 . . 4.810 3.509 3.099 4.266 . 0 0 "[ . 1 . 2]" 1 1106 1 49 HIS HD2 1 50 GLY H . . 4.070 3.404 2.036 4.074 0.004 7 0 "[ . 1 . 2]" 1 1107 1 49 HIS HD2 1 51 PRO HA . . 5.500 4.247 3.024 5.506 0.006 10 0 "[ . 1 . 2]" 1 1108 1 49 HIS HD2 1 51 PRO QG . . 4.460 3.167 2.261 4.430 . 0 0 "[ . 1 . 2]" 1 1109 1 50 GLY H 1 51 PRO HD2 . . 4.380 3.649 3.205 3.925 . 0 0 "[ . 1 . 2]" 1 1110 1 50 GLY H 1 51 PRO HD3 . . 4.730 2.800 2.230 3.176 . 0 0 "[ . 1 . 2]" 1 1111 1 50 GLY QA 1 51 PRO HD3 . . 3.460 3.029 2.982 3.109 . 0 0 "[ . 1 . 2]" 1 1112 1 50 GLY QA 1 52 THR H . . 4.620 3.462 3.084 3.792 . 0 0 "[ . 1 . 2]" 1 1113 1 51 PRO HA 1 52 THR HA . . 4.650 4.554 4.525 4.578 . 0 0 "[ . 1 . 2]" 1 1114 1 51 PRO QB 1 52 THR H . . 3.500 3.070 2.801 3.404 . 0 0 "[ . 1 . 2]" 1 1115 1 51 PRO QB 1 52 THR MG . . 3.940 3.077 2.507 3.911 . 0 0 "[ . 1 . 2]" 1 1116 1 51 PRO QB 1 53 THR H . . 5.340 4.930 4.527 5.232 . 0 0 "[ . 1 . 2]" 1 1117 1 51 PRO HD2 1 52 THR H . . 4.380 2.691 2.647 2.767 . 0 0 "[ . 1 . 2]" 1 1118 1 51 PRO QG 1 52 THR H . . 4.560 2.200 1.891 2.659 . 0 0 "[ . 1 . 2]" 1 1119 1 51 PRO QG 1 53 THR H . . 5.350 3.717 3.126 4.088 . 0 0 "[ . 1 . 2]" 1 1120 1 52 THR H 1 52 THR HB . . 4.110 3.579 3.029 3.827 . 0 0 "[ . 1 . 2]" 1 1121 1 52 THR H 1 52 THR MG . . 3.880 2.637 1.889 3.188 . 0 0 "[ . 1 . 2]" 1 1122 1 52 THR H 1 53 THR H . . 3.020 2.172 1.898 2.411 . 0 0 "[ . 1 . 2]" 1 1123 1 52 THR HA 1 52 THR MG . . 3.280 2.581 2.111 3.202 . 0 0 "[ . 1 . 2]" 1 1124 1 52 THR HB 1 53 THR H . . 3.780 3.512 3.058 3.787 0.007 7 0 "[ . 1 . 2]" 1 1125 1 52 THR MG 1 53 THR H . . 4.680 3.131 1.759 4.062 . 0 0 "[ . 1 . 2]" 1 1126 1 53 THR H 1 53 THR HB . . 4.020 3.250 2.627 3.883 . 0 0 "[ . 1 . 2]" 1 1127 1 53 THR H 1 53 THR MG . . 4.000 3.647 2.751 4.015 0.015 8 0 "[ . 1 . 2]" 1 1128 1 53 THR H 1 54 PRO QD . . 4.230 3.889 3.491 4.251 0.021 18 0 "[ . 1 . 2]" 1 1129 1 53 THR HA 1 53 THR MG . . 3.000 2.312 2.111 2.476 . 0 0 "[ . 1 . 2]" 1 1130 1 53 THR HA 1 54 PRO HD2 . . 3.440 2.037 1.915 2.236 . 0 0 "[ . 1 . 2]" 1 1131 1 53 THR HA 1 54 PRO HD3 . . 3.440 2.418 2.255 2.672 . 0 0 "[ . 1 . 2]" 1 1132 1 53 THR HA 1 54 PRO HG2 . . 4.420 4.216 4.116 4.381 . 0 0 "[ . 1 . 2]" 1 1133 1 53 THR HA 1 54 PRO HG3 . . 4.420 4.389 4.319 4.485 0.065 5 0 "[ . 1 . 2]" 1 1134 1 53 THR HB 1 54 PRO QD . . 4.450 3.699 2.433 4.347 . 0 0 "[ . 1 . 2]" 1 1135 1 53 THR HB 1 76 GLU QB . . 3.800 3.098 2.071 3.801 0.001 19 0 "[ . 1 . 2]" 1 1136 1 53 THR MG 1 54 PRO QD . . 3.640 2.702 1.807 3.597 . 0 0 "[ . 1 . 2]" 1 1137 1 53 THR MG 1 76 GLU QB . . 4.420 2.545 1.819 3.800 . 0 0 "[ . 1 . 2]" 1 1138 1 53 THR MG 1 76 GLU QG . . 4.310 3.505 2.286 4.225 . 0 0 "[ . 1 . 2]" 1 1139 1 54 PRO HA 1 55 CYS H . . 3.190 2.436 2.235 2.684 . 0 0 "[ . 1 . 2]" 1 1140 1 54 PRO QB 1 55 CYS H . . 3.750 2.476 1.961 2.956 . 0 0 "[ . 1 . 2]" 1 1141 1 54 PRO HB2 1 55 CYS H . . 4.290 2.547 1.980 3.101 . 0 0 "[ . 1 . 2]" 1 1142 1 54 PRO HB3 1 55 CYS H . . 4.290 3.431 3.174 3.725 . 0 0 "[ . 1 . 2]" 1 1143 1 55 CYS H 1 55 CYS QB . . 3.360 2.433 2.209 2.722 . 0 0 "[ . 1 . 2]" 1 1144 1 55 CYS H 1 56 GLU H . . 5.020 4.589 4.546 4.624 . 0 0 "[ . 1 . 2]" 1 1145 1 55 CYS H 1 57 GLU H . . 5.500 5.496 5.445 5.524 0.024 18 0 "[ . 1 . 2]" 1 1146 1 55 CYS H 1 74 VAL MG1 . . 5.300 5.110 4.813 5.300 . 0 0 "[ . 1 . 2]" 1 1147 1 55 CYS HA 1 56 GLU H . . 3.070 2.309 2.289 2.316 . 0 0 "[ . 1 . 2]" 1 1148 1 55 CYS HA 1 56 GLU QB . . 4.830 4.395 4.126 4.568 . 0 0 "[ . 1 . 2]" 1 1149 1 55 CYS HA 1 57 GLU H . . 4.390 4.336 4.255 4.402 0.012 18 0 "[ . 1 . 2]" 1 1150 1 55 CYS HA 1 74 VAL HA . . 4.090 3.180 2.779 3.568 . 0 0 "[ . 1 . 2]" 1 1151 1 55 CYS HA 1 74 VAL MG1 . . 4.070 3.230 2.900 3.664 . 0 0 "[ . 1 . 2]" 1 1152 1 55 CYS QB 1 56 GLU H . . 3.770 2.878 2.619 3.331 . 0 0 "[ . 1 . 2]" 1 1153 1 55 CYS QB 1 57 GLU H . . 3.700 3.017 2.686 3.236 . 0 0 "[ . 1 . 2]" 1 1154 1 55 CYS QB 1 58 VAL MG2 . . 3.660 3.186 2.699 3.530 . 0 0 "[ . 1 . 2]" 1 1155 1 55 CYS QB 1 72 TYR HB2 . . 4.730 3.092 2.560 3.725 . 0 0 "[ . 1 . 2]" 1 1156 1 55 CYS QB 1 72 TYR QD . . 4.640 4.160 3.514 4.643 0.003 18 0 "[ . 1 . 2]" 1 1157 1 55 CYS QB 1 73 VAL H . . 4.670 3.458 2.793 4.318 . 0 0 "[ . 1 . 2]" 1 1158 1 55 CYS QB 1 74 VAL MG1 . . 3.920 3.389 2.995 3.783 . 0 0 "[ . 1 . 2]" 1 1159 1 55 CYS QB 1 80 TYR QD . . 5.500 5.080 4.432 5.498 . 0 0 "[ . 1 . 2]" 1 1160 1 55 CYS QB 1 80 TYR QE . . 5.240 4.383 3.832 4.944 . 0 0 "[ . 1 . 2]" 1 1161 1 56 GLU H 1 56 GLU HB2 . . 3.670 2.301 2.192 2.469 . 0 0 "[ . 1 . 2]" 1 1162 1 56 GLU H 1 56 GLU QB . . 3.070 2.267 2.133 2.428 . 0 0 "[ . 1 . 2]" 1 1163 1 56 GLU H 1 56 GLU HB3 . . 3.670 3.456 2.919 3.588 . 0 0 "[ . 1 . 2]" 1 1164 1 56 GLU H 1 56 GLU HG2 . . 4.320 2.988 2.329 4.415 0.095 18 0 "[ . 1 . 2]" 1 1165 1 56 GLU H 1 56 GLU QG . . 3.790 2.779 2.304 3.797 0.007 18 0 "[ . 1 . 2]" 1 1166 1 56 GLU H 1 56 GLU HG3 . . 4.320 3.719 2.792 4.380 0.060 17 0 "[ . 1 . 2]" 1 1167 1 56 GLU H 1 57 GLU H . . 3.130 2.691 2.645 2.722 . 0 0 "[ . 1 . 2]" 1 1168 1 56 GLU H 1 73 VAL H . . 5.050 3.624 3.446 3.860 . 0 0 "[ . 1 . 2]" 1 1169 1 56 GLU H 1 73 VAL HB . . 4.750 3.778 3.481 3.960 . 0 0 "[ . 1 . 2]" 1 1170 1 56 GLU H 1 73 VAL MG1 . . 4.610 4.079 3.833 4.542 . 0 0 "[ . 1 . 2]" 1 1171 1 56 GLU H 1 73 VAL MG2 . . 5.240 5.097 4.866 5.219 . 0 0 "[ . 1 . 2]" 1 1172 1 56 GLU H 1 74 VAL H . . 5.500 5.020 4.831 5.367 . 0 0 "[ . 1 . 2]" 1 1173 1 56 GLU H 1 74 VAL MG1 . . 5.140 4.121 3.606 4.767 . 0 0 "[ . 1 . 2]" 1 1174 1 56 GLU HA 1 56 GLU HG2 . . 3.910 2.715 2.165 3.704 . 0 0 "[ . 1 . 2]" 1 1175 1 56 GLU HA 1 56 GLU HG3 . . 3.910 3.495 2.494 3.728 . 0 0 "[ . 1 . 2]" 1 1176 1 56 GLU HA 1 57 GLU HA . . 4.830 4.656 4.627 4.673 . 0 0 "[ . 1 . 2]" 1 1177 1 56 GLU QB 1 57 GLU H . . 3.040 2.573 2.471 2.685 . 0 0 "[ . 1 . 2]" 1 1178 1 56 GLU QB 1 73 VAL HB . . 3.780 2.127 1.977 2.358 . 0 0 "[ . 1 . 2]" 1 1179 1 56 GLU QB 1 73 VAL MG1 . . 3.660 2.803 2.253 3.153 . 0 0 "[ . 1 . 2]" 1 1180 1 56 GLU HB2 1 73 VAL MG1 . . 4.190 2.900 2.347 3.261 . 0 0 "[ . 1 . 2]" 1 1181 1 56 GLU HB3 1 73 VAL MG1 . . 4.190 3.736 2.904 4.190 . 0 0 "[ . 1 . 2]" 1 1182 1 56 GLU QG 1 57 GLU H . . 4.410 4.251 4.079 4.420 0.010 15 0 "[ . 1 . 2]" 1 1183 1 56 GLU QG 1 75 LYS QE . . 4.980 3.303 1.804 4.979 . 0 0 "[ . 1 . 2]" 1 1184 1 56 GLU HG2 1 57 GLU H . . 5.050 4.633 4.318 4.959 . 0 0 "[ . 1 . 2]" 1 1185 1 56 GLU HG2 1 73 VAL MG1 . . 4.210 3.556 2.513 4.212 0.002 18 0 "[ . 1 . 2]" 1 1186 1 56 GLU HG2 1 75 LYS QD . . 4.230 3.734 2.007 4.211 . 0 0 "[ . 1 . 2]" 1 1187 1 56 GLU HG3 1 57 GLU H . . 5.050 4.978 4.653 5.082 0.032 18 0 "[ . 1 . 2]" 1 1188 1 56 GLU HG3 1 73 VAL MG1 . . 4.210 2.757 2.063 3.982 . 0 0 "[ . 1 . 2]" 1 1189 1 56 GLU HG3 1 75 LYS QD . . 4.230 3.121 2.074 4.136 . 0 0 "[ . 1 . 2]" 1 1190 1 57 GLU H 1 57 GLU QG . . 4.290 2.899 2.607 3.989 . 0 0 "[ . 1 . 2]" 1 1191 1 57 GLU H 1 58 VAL H . . 4.370 4.359 4.347 4.367 . 0 0 "[ . 1 . 2]" 1 1192 1 57 GLU H 1 58 VAL MG2 . . 4.480 3.768 3.614 3.874 . 0 0 "[ . 1 . 2]" 1 1193 1 57 GLU H 1 72 TYR HA . . 4.870 4.195 4.005 4.416 . 0 0 "[ . 1 . 2]" 1 1194 1 57 GLU H 1 73 VAL H . . 3.490 2.953 2.756 3.270 . 0 0 "[ . 1 . 2]" 1 1195 1 57 GLU H 1 73 VAL HB . . 3.800 3.649 3.469 3.798 . 0 0 "[ . 1 . 2]" 1 1196 1 57 GLU H 1 73 VAL MG2 . . 4.540 4.460 3.983 4.540 . 0 0 "[ . 1 . 2]" 1 1197 1 57 GLU HA 1 57 GLU QG . . 3.520 3.329 2.707 3.507 . 0 0 "[ . 1 . 2]" 1 1198 1 57 GLU HA 1 58 VAL H . . 2.750 2.508 2.435 2.570 . 0 0 "[ . 1 . 2]" 1 1199 1 57 GLU HA 1 58 VAL MG2 . . 4.250 3.320 3.152 3.446 . 0 0 "[ . 1 . 2]" 1 1200 1 57 GLU QB 1 58 VAL H . . 3.170 2.304 2.142 3.221 0.051 19 0 "[ . 1 . 2]" 1 1201 1 57 GLU HB2 1 58 VAL H . . 3.740 2.336 2.157 3.487 . 0 0 "[ . 1 . 2]" 1 1202 1 57 GLU HB3 1 58 VAL H . . 3.740 3.720 3.648 3.786 0.046 19 0 "[ . 1 . 2]" 1 1203 1 57 GLU QG 1 58 VAL H . . 3.400 3.097 1.800 3.400 . 0 0 "[ . 1 . 2]" 1 1204 1 57 GLU QG 1 58 VAL HA . . 4.960 3.583 3.080 3.858 . 0 0 "[ . 1 . 2]" 1 1205 1 57 GLU QG 1 59 SER H . . 4.010 3.680 3.222 4.013 0.003 16 0 "[ . 1 . 2]" 1 1206 1 57 GLU QG 1 59 SER HA . . 5.400 4.933 4.054 5.290 . 0 0 "[ . 1 . 2]" 1 1207 1 57 GLU QG 1 59 SER QB . . 4.110 3.809 3.427 4.108 . 0 0 "[ . 1 . 2]" 1 1208 1 57 GLU QG 1 72 TYR HA . . 4.560 3.511 3.183 3.804 . 0 0 "[ . 1 . 2]" 1 1209 1 57 GLU QG 1 73 VAL MG2 . . 3.900 3.321 2.996 3.832 . 0 0 "[ . 1 . 2]" 1 1210 1 58 VAL H 1 58 VAL HB . . 3.590 2.848 2.776 2.930 . 0 0 "[ . 1 . 2]" 1 1211 1 58 VAL H 1 58 VAL MG1 . . 4.000 3.932 3.904 3.967 . 0 0 "[ . 1 . 2]" 1 1212 1 58 VAL H 1 58 VAL MG2 . . 3.820 2.968 2.867 3.117 . 0 0 "[ . 1 . 2]" 1 1213 1 58 VAL H 1 59 SER H . . 4.570 3.932 3.860 4.081 . 0 0 "[ . 1 . 2]" 1 1214 1 58 VAL H 1 59 SER HA . . 4.820 4.545 4.476 4.612 . 0 0 "[ . 1 . 2]" 1 1215 1 58 VAL HA 1 58 VAL MG1 . . 3.410 2.298 2.230 2.394 . 0 0 "[ . 1 . 2]" 1 1216 1 58 VAL HA 1 58 VAL MG2 . . 3.490 2.368 2.265 2.459 . 0 0 "[ . 1 . 2]" 1 1217 1 58 VAL HA 1 59 SER H . . 2.820 2.167 2.140 2.193 . 0 0 "[ . 1 . 2]" 1 1218 1 58 VAL HA 1 72 TYR H . . 5.140 5.020 4.779 5.139 . 0 0 "[ . 1 . 2]" 1 1219 1 58 VAL HA 1 72 TYR HA . . 3.670 2.854 2.476 3.004 . 0 0 "[ . 1 . 2]" 1 1220 1 58 VAL HA 1 72 TYR HB2 . . 4.570 3.867 3.603 4.079 . 0 0 "[ . 1 . 2]" 1 1221 1 58 VAL HA 1 72 TYR HB3 . . 4.200 2.989 2.752 3.196 . 0 0 "[ . 1 . 2]" 1 1222 1 58 VAL HA 1 73 VAL H . . 4.860 4.657 4.342 4.822 . 0 0 "[ . 1 . 2]" 1 1223 1 58 VAL HB 1 59 SER H . . 4.710 4.369 4.290 4.423 . 0 0 "[ . 1 . 2]" 1 1224 1 58 VAL HB 1 59 SER HA . . 5.500 4.932 4.852 4.999 . 0 0 "[ . 1 . 2]" 1 1225 1 58 VAL HB 1 60 MET H . . 5.500 5.250 5.058 5.501 0.001 9 0 "[ . 1 . 2]" 1 1226 1 58 VAL HB 1 60 MET QG . . 4.010 3.797 3.600 4.012 0.002 18 0 "[ . 1 . 2]" 1 1227 1 58 VAL HB 1 70 VAL MG1 . . 5.500 4.725 4.510 4.930 . 0 0 "[ . 1 . 2]" 1 1228 1 58 VAL MG1 1 59 SER H . . 3.450 3.020 2.797 3.266 . 0 0 "[ . 1 . 2]" 1 1229 1 58 VAL MG1 1 60 MET H . . 4.090 3.940 3.681 4.056 . 0 0 "[ . 1 . 2]" 1 1230 1 58 VAL MG1 1 60 MET HB2 . . 4.480 4.221 4.025 4.419 . 0 0 "[ . 1 . 2]" 1 1231 1 58 VAL MG1 1 60 MET HB3 . . 4.590 4.455 4.276 4.578 . 0 0 "[ . 1 . 2]" 1 1232 1 58 VAL MG1 1 60 MET QG . . 3.320 2.011 1.919 2.204 . 0 0 "[ . 1 . 2]" 1 1233 1 58 VAL MG1 1 70 VAL MG1 . . 2.980 2.267 2.048 2.386 . 0 0 "[ . 1 . 2]" 1 1234 1 58 VAL MG1 1 71 THR H . . 4.200 3.792 3.403 4.113 . 0 0 "[ . 1 . 2]" 1 1235 1 58 VAL MG1 1 72 TYR HA . . 4.370 4.247 3.942 4.384 0.014 18 0 "[ . 1 . 2]" 1 1236 1 58 VAL MG1 1 72 TYR HB2 . . 4.660 4.490 4.077 4.654 . 0 0 "[ . 1 . 2]" 1 1237 1 58 VAL MG1 1 72 TYR HB3 . . 3.810 3.218 2.882 3.426 . 0 0 "[ . 1 . 2]" 1 1238 1 58 VAL MG2 1 59 SER H . . 4.260 4.197 4.035 4.244 . 0 0 "[ . 1 . 2]" 1 1239 1 58 VAL MG2 1 60 MET QG . . 4.490 4.441 4.329 4.498 0.008 18 0 "[ . 1 . 2]" 1 1240 1 58 VAL MG2 1 72 TYR HA . . 4.240 3.819 3.410 4.011 . 0 0 "[ . 1 . 2]" 1 1241 1 58 VAL MG2 1 72 TYR HB2 . . 3.690 3.230 2.752 3.578 . 0 0 "[ . 1 . 2]" 1 1242 1 58 VAL MG2 1 72 TYR HB3 . . 3.300 2.827 2.153 3.152 . 0 0 "[ . 1 . 2]" 1 1243 1 58 VAL MG2 1 73 VAL H . . 4.510 4.372 3.909 4.511 0.001 18 0 "[ . 1 . 2]" 1 1244 1 59 SER H 1 59 SER QB . . 3.310 2.333 2.181 2.715 . 0 0 "[ . 1 . 2]" 1 1245 1 59 SER H 1 60 MET H . . 4.530 4.299 4.223 4.380 . 0 0 "[ . 1 . 2]" 1 1246 1 59 SER H 1 70 VAL MG1 . . 4.330 4.042 3.783 4.218 . 0 0 "[ . 1 . 2]" 1 1247 1 59 SER H 1 71 THR H . . 3.540 3.199 2.816 3.409 . 0 0 "[ . 1 . 2]" 1 1248 1 59 SER H 1 71 THR HB . . 4.620 3.852 3.640 4.164 . 0 0 "[ . 1 . 2]" 1 1249 1 59 SER H 1 72 TYR HA . . 3.670 3.446 3.204 3.670 . 0 0 "[ . 1 . 2]" 1 1250 1 59 SER H 1 72 TYR HB2 . . 5.500 5.368 5.169 5.503 0.003 14 0 "[ . 1 . 2]" 1 1251 1 59 SER H 1 72 TYR HB3 . . 4.600 4.340 4.133 4.540 . 0 0 "[ . 1 . 2]" 1 1252 1 59 SER HA 1 60 MET H . . 2.780 2.154 2.142 2.171 . 0 0 "[ . 1 . 2]" 1 1253 1 59 SER HA 1 60 MET HB2 . . 5.500 4.772 4.649 4.852 . 0 0 "[ . 1 . 2]" 1 1254 1 59 SER QB 1 60 MET H . . 3.950 3.840 3.567 3.951 0.001 6 0 "[ . 1 . 2]" 1 1255 1 59 SER QB 1 71 THR H . . 4.230 3.074 2.814 4.052 . 0 0 "[ . 1 . 2]" 1 1256 1 60 MET H 1 60 MET HB2 . . 3.390 2.682 2.572 2.747 . 0 0 "[ . 1 . 2]" 1 1257 1 60 MET H 1 60 MET HB3 . . 3.820 3.761 3.719 3.802 . 0 0 "[ . 1 . 2]" 1 1258 1 60 MET H 1 60 MET ME . . 4.850 4.668 4.475 4.850 . 0 0 "[ . 1 . 2]" 1 1259 1 60 MET H 1 60 MET QG . . 3.810 2.562 2.395 2.778 . 0 0 "[ . 1 . 2]" 1 1260 1 60 MET H 1 61 LYS H . . 4.400 4.345 4.281 4.415 0.015 18 0 "[ . 1 . 2]" 1 1261 1 60 MET H 1 70 VAL HA . . 4.960 4.742 4.658 4.833 . 0 0 "[ . 1 . 2]" 1 1262 1 60 MET HA 1 60 MET ME . . 4.120 4.082 3.896 4.121 0.001 9 0 "[ . 1 . 2]" 1 1263 1 60 MET HA 1 60 MET QG . . 3.600 2.578 2.478 2.631 . 0 0 "[ . 1 . 2]" 1 1264 1 60 MET HA 1 61 LYS H . . 2.720 2.146 2.140 2.166 . 0 0 "[ . 1 . 2]" 1 1265 1 60 MET HA 1 61 LYS HB2 . . 4.490 4.267 4.205 4.330 . 0 0 "[ . 1 . 2]" 1 1266 1 60 MET HA 1 70 VAL HA . . 3.470 2.437 2.278 2.590 . 0 0 "[ . 1 . 2]" 1 1267 1 60 MET HA 1 70 VAL MG1 . . 4.180 3.406 3.204 3.600 . 0 0 "[ . 1 . 2]" 1 1268 1 60 MET HA 1 70 VAL MG2 . . 3.770 2.649 2.405 3.085 . 0 0 "[ . 1 . 2]" 1 1269 1 60 MET HA 1 71 THR H . . 4.130 3.821 3.638 3.995 . 0 0 "[ . 1 . 2]" 1 1270 1 60 MET HB2 1 61 LYS H . . 4.220 4.158 4.044 4.219 . 0 0 "[ . 1 . 2]" 1 1271 1 60 MET HB2 1 70 VAL MG1 . . 4.900 4.629 4.439 4.771 . 0 0 "[ . 1 . 2]" 1 1272 1 60 MET HB2 1 70 VAL MG2 . . 4.260 4.077 3.743 4.264 0.004 18 0 "[ . 1 . 2]" 1 1273 1 60 MET HB3 1 60 MET ME . . 3.300 2.071 1.979 2.238 . 0 0 "[ . 1 . 2]" 1 1274 1 60 MET HB3 1 61 LYS H . . 3.750 3.380 3.194 3.503 . 0 0 "[ . 1 . 2]" 1 1275 1 60 MET HB3 1 70 VAL MG1 . . 4.610 3.945 3.722 4.214 . 0 0 "[ . 1 . 2]" 1 1276 1 60 MET HB3 1 70 VAL MG2 . . 3.750 2.745 2.373 3.065 . 0 0 "[ . 1 . 2]" 1 1277 1 60 MET ME 1 60 MET QG . . 3.110 2.513 2.449 2.610 . 0 0 "[ . 1 . 2]" 1 1278 1 60 MET ME 1 70 VAL MG1 . . 4.040 3.693 3.436 3.924 . 0 0 "[ . 1 . 2]" 1 1279 1 60 MET ME 1 70 VAL MG2 . . 3.680 2.952 2.249 3.277 . 0 0 "[ . 1 . 2]" 1 1280 1 60 MET QG 1 61 LYS H . . 4.380 4.311 4.135 4.385 0.005 14 0 "[ . 1 . 2]" 1 1281 1 60 MET QG 1 70 VAL HA . . 4.500 3.236 2.968 3.445 . 0 0 "[ . 1 . 2]" 1 1282 1 60 MET QG 1 70 VAL MG1 . . 4.150 2.108 1.966 2.316 . 0 0 "[ . 1 . 2]" 1 1283 1 60 MET QG 1 70 VAL MG2 . . 3.460 2.208 2.010 2.450 . 0 0 "[ . 1 . 2]" 1 1284 1 60 MET QG 1 71 THR H . . 4.840 4.095 3.768 4.346 . 0 0 "[ . 1 . 2]" 1 1285 1 61 LYS H 1 61 LYS HB2 . . 3.440 2.682 2.560 2.953 . 0 0 "[ . 1 . 2]" 1 1286 1 61 LYS H 1 61 LYS HD2 . . 5.500 5.119 3.768 5.473 . 0 0 "[ . 1 . 2]" 1 1287 1 61 LYS H 1 61 LYS HD3 . . 5.500 4.888 3.038 5.502 0.002 17 0 "[ . 1 . 2]" 1 1288 1 61 LYS H 1 61 LYS HG2 . . 4.920 4.038 3.623 4.832 . 0 0 "[ . 1 . 2]" 1 1289 1 61 LYS H 1 61 LYS HG3 . . 4.920 4.528 3.877 4.926 0.006 11 0 "[ . 1 . 2]" 1 1290 1 61 LYS H 1 63 VAL MG1 . . 5.500 5.183 4.862 5.405 . 0 0 "[ . 1 . 2]" 1 1291 1 61 LYS H 1 68 TYR HA . . 5.310 4.630 4.302 4.890 . 0 0 "[ . 1 . 2]" 1 1292 1 61 LYS H 1 69 ASN H . . 3.600 3.315 3.046 3.564 . 0 0 "[ . 1 . 2]" 1 1293 1 61 LYS H 1 69 ASN HB2 . . 4.840 4.468 4.271 4.718 . 0 0 "[ . 1 . 2]" 1 1294 1 61 LYS H 1 69 ASN HB3 . . 4.320 3.259 3.074 3.496 . 0 0 "[ . 1 . 2]" 1 1295 1 61 LYS H 1 70 VAL HA . . 4.150 3.698 3.395 3.935 . 0 0 "[ . 1 . 2]" 1 1296 1 61 LYS H 1 70 VAL MG2 . . 4.000 3.406 3.073 3.772 . 0 0 "[ . 1 . 2]" 1 1297 1 61 LYS HA 1 61 LYS HD2 . . 4.710 3.218 1.999 4.663 . 0 0 "[ . 1 . 2]" 1 1298 1 61 LYS HA 1 61 LYS QD . . 4.040 2.546 1.981 3.833 . 0 0 "[ . 1 . 2]" 1 1299 1 61 LYS HA 1 61 LYS HD3 . . 4.710 2.930 2.093 4.530 . 0 0 "[ . 1 . 2]" 1 1300 1 61 LYS HA 1 61 LYS HG2 . . 3.950 2.680 2.176 3.548 . 0 0 "[ . 1 . 2]" 1 1301 1 61 LYS HA 1 61 LYS QG . . 3.450 2.399 2.155 2.620 . 0 0 "[ . 1 . 2]" 1 1302 1 61 LYS HA 1 61 LYS HG3 . . 3.950 3.314 2.181 3.656 . 0 0 "[ . 1 . 2]" 1 1303 1 61 LYS HA 1 62 HIS H . . 2.950 2.251 2.177 2.340 . 0 0 "[ . 1 . 2]" 1 1304 1 61 LYS HA 1 62 HIS HB2 . . 4.860 4.586 4.511 4.658 . 0 0 "[ . 1 . 2]" 1 1305 1 61 LYS HA 1 62 HIS QB . . 4.210 4.046 4.011 4.069 . 0 0 "[ . 1 . 2]" 1 1306 1 61 LYS HA 1 62 HIS HB3 . . 4.860 4.502 4.446 4.590 . 0 0 "[ . 1 . 2]" 1 1307 1 61 LYS HB2 1 61 LYS QD . . 3.670 3.061 2.074 3.402 . 0 0 "[ . 1 . 2]" 1 1308 1 61 LYS HB2 1 69 ASN H . . 4.780 4.355 4.171 4.626 . 0 0 "[ . 1 . 2]" 1 1309 1 61 LYS HB2 1 69 ASN HB2 . . 4.650 4.358 4.173 4.651 0.001 11 0 "[ . 1 . 2]" 1 1310 1 61 LYS HB2 1 69 ASN HB3 . . 4.150 3.096 2.918 3.375 . 0 0 "[ . 1 . 2]" 1 1311 1 61 LYS HB3 1 61 LYS HD2 . . 4.150 2.697 2.105 4.212 0.062 15 0 "[ . 1 . 2]" 1 1312 1 61 LYS HB3 1 61 LYS QD . . 3.610 2.440 2.071 3.398 . 0 0 "[ . 1 . 2]" 1 1313 1 61 LYS HB3 1 61 LYS HD3 . . 4.150 3.155 2.132 3.699 . 0 0 "[ . 1 . 2]" 1 1314 1 61 LYS HB3 1 61 LYS QE . . 4.500 3.733 2.351 4.395 . 0 0 "[ . 1 . 2]" 1 1315 1 61 LYS HB3 1 62 HIS H . . 3.720 3.019 2.668 3.559 . 0 0 "[ . 1 . 2]" 1 1316 1 61 LYS HB3 1 69 ASN H . . 5.010 4.459 3.343 4.720 . 0 0 "[ . 1 . 2]" 1 1317 1 61 LYS HB3 1 69 ASN HB2 . . 4.910 4.648 3.276 4.904 . 0 0 "[ . 1 . 2]" 1 1318 1 61 LYS HB3 1 69 ASN HB3 . . 4.180 3.958 2.556 4.180 . 0 0 "[ . 1 . 2]" 1 1319 1 61 LYS HD2 1 62 HIS H . . 5.500 3.826 2.590 5.522 0.022 14 0 "[ . 1 . 2]" 1 1320 1 61 LYS HD3 1 62 HIS H . . 5.500 3.839 2.115 5.501 0.001 9 0 "[ . 1 . 2]" 1 1321 1 61 LYS QE 1 61 LYS HG2 . . 3.870 2.633 2.072 3.418 . 0 0 "[ . 1 . 2]" 1 1322 1 61 LYS QE 1 61 LYS QG . . 3.370 2.194 2.047 2.373 . 0 0 "[ . 1 . 2]" 1 1323 1 61 LYS QE 1 61 LYS HG3 . . 3.870 2.526 2.069 3.259 . 0 0 "[ . 1 . 2]" 1 1324 1 61 LYS QG 1 62 HIS H . . 4.690 3.819 2.372 4.316 . 0 0 "[ . 1 . 2]" 1 1325 1 61 LYS HG2 1 62 HIS H . . 5.440 4.198 2.555 4.656 . 0 0 "[ . 1 . 2]" 1 1326 1 61 LYS HG3 1 62 HIS H . . 5.440 4.580 2.811 5.155 . 0 0 "[ . 1 . 2]" 1 1327 1 62 HIS H 1 62 HIS HB2 . . 3.410 2.957 2.801 3.113 . 0 0 "[ . 1 . 2]" 1 1328 1 62 HIS H 1 62 HIS QB . . 2.990 2.303 2.243 2.370 . 0 0 "[ . 1 . 2]" 1 1329 1 62 HIS H 1 62 HIS HB3 . . 3.410 2.404 2.348 2.465 . 0 0 "[ . 1 . 2]" 1 1330 1 62 HIS H 1 63 VAL H . . 4.670 3.823 3.506 4.003 . 0 0 "[ . 1 . 2]" 1 1331 1 62 HIS H 1 63 VAL MG1 . . 5.500 5.027 4.826 5.172 . 0 0 "[ . 1 . 2]" 1 1332 1 62 HIS H 1 68 TYR HA . . 5.500 4.893 4.762 5.036 . 0 0 "[ . 1 . 2]" 1 1333 1 62 HIS H 1 68 TYR QD . . 4.570 4.430 4.137 4.571 0.001 11 0 "[ . 1 . 2]" 1 1334 1 62 HIS H 1 68 TYR QE . . 5.200 5.093 4.805 5.197 . 0 0 "[ . 1 . 2]" 1 1335 1 62 HIS HA 1 62 HIS HD2 . . 4.670 2.821 2.670 3.130 . 0 0 "[ . 1 . 2]" 1 1336 1 62 HIS HA 1 63 VAL H . . 2.930 2.351 2.282 2.492 . 0 0 "[ . 1 . 2]" 1 1337 1 62 HIS HA 1 63 VAL MG2 . . 3.980 3.486 3.415 3.591 . 0 0 "[ . 1 . 2]" 1 1338 1 62 HIS HA 1 68 TYR HA . . 3.870 2.330 2.185 2.514 . 0 0 "[ . 1 . 2]" 1 1339 1 62 HIS HA 1 68 TYR QD . . 4.150 3.076 2.903 3.268 . 0 0 "[ . 1 . 2]" 1 1340 1 62 HIS HA 1 68 TYR QE . . 4.730 4.140 3.929 4.335 . 0 0 "[ . 1 . 2]" 1 1341 1 62 HIS HA 1 69 ASN H . . 4.160 3.224 3.005 3.521 . 0 0 "[ . 1 . 2]" 1 1342 1 62 HIS QB 1 63 VAL H . . 4.190 4.053 4.038 4.062 . 0 0 "[ . 1 . 2]" 1 1343 1 62 HIS QB 1 68 TYR HA . . 5.270 4.007 3.911 4.246 . 0 0 "[ . 1 . 2]" 1 1344 1 62 HIS QB 1 68 TYR QD . . 4.370 2.825 2.541 3.141 . 0 0 "[ . 1 . 2]" 1 1345 1 62 HIS QB 1 68 TYR QE . . 3.580 2.471 2.310 2.635 . 0 0 "[ . 1 . 2]" 1 1346 1 62 HIS HB2 1 68 TYR QE . . 4.240 2.492 2.329 2.663 . 0 0 "[ . 1 . 2]" 1 1347 1 62 HIS HB3 1 68 TYR QE . . 4.240 4.055 3.801 4.229 . 0 0 "[ . 1 . 2]" 1 1348 1 62 HIS HD2 1 63 VAL H . . 4.920 4.338 3.949 4.883 . 0 0 "[ . 1 . 2]" 1 1349 1 62 HIS HD2 1 63 VAL MG2 . . 4.770 4.075 3.858 4.487 . 0 0 "[ . 1 . 2]" 1 1350 1 62 HIS HD2 1 64 GLY H . . 4.680 3.051 2.696 3.619 . 0 0 "[ . 1 . 2]" 1 1351 1 62 HIS HD2 1 66 GLN HA . . 4.300 3.934 3.505 4.282 . 0 0 "[ . 1 . 2]" 1 1352 1 62 HIS HD2 1 67 GLN H . . 3.450 3.234 2.898 3.448 . 0 0 "[ . 1 . 2]" 1 1353 1 62 HIS HD2 1 68 TYR HA . . 5.480 3.490 3.052 4.122 . 0 0 "[ . 1 . 2]" 1 1354 1 62 HIS HD2 1 68 TYR QE . . 4.790 3.502 3.203 3.899 . 0 0 "[ . 1 . 2]" 1 1355 1 62 HIS HE1 1 64 GLY H . . 4.780 4.603 4.336 4.780 0.000 11 0 "[ . 1 . 2]" 1 1356 1 62 HIS HE1 1 64 GLY HA2 . . 4.390 2.714 2.506 2.864 . 0 0 "[ . 1 . 2]" 1 1357 1 62 HIS HE1 1 64 GLY QA . . 3.800 2.681 2.483 2.826 . 0 0 "[ . 1 . 2]" 1 1358 1 62 HIS HE1 1 64 GLY HA3 . . 4.390 4.179 3.959 4.368 . 0 0 "[ . 1 . 2]" 1 1359 1 62 HIS HE1 1 65 ASN H . . 4.640 4.237 3.982 4.484 . 0 0 "[ . 1 . 2]" 1 1360 1 62 HIS HE1 1 66 GLN H . . 4.940 4.062 3.447 4.521 . 0 0 "[ . 1 . 2]" 1 1361 1 63 VAL H 1 63 VAL MG1 . . 3.640 2.520 2.318 2.712 . 0 0 "[ . 1 . 2]" 1 1362 1 63 VAL H 1 63 VAL MG2 . . 3.130 2.034 1.904 2.179 . 0 0 "[ . 1 . 2]" 1 1363 1 63 VAL H 1 64 GLY H . . 3.110 2.832 2.749 2.948 . 0 0 "[ . 1 . 2]" 1 1364 1 63 VAL H 1 68 TYR HA . . 3.870 3.210 2.888 3.406 . 0 0 "[ . 1 . 2]" 1 1365 1 63 VAL H 1 68 TYR QD . . 5.240 5.050 4.904 5.178 . 0 0 "[ . 1 . 2]" 1 1366 1 63 VAL H 1 69 ASN H . . 4.140 2.842 2.531 3.003 . 0 0 "[ . 1 . 2]" 1 1367 1 63 VAL HA 1 63 VAL MG1 . . 3.010 2.154 2.031 2.281 . 0 0 "[ . 1 . 2]" 1 1368 1 63 VAL HA 1 63 VAL MG2 . . 3.450 3.171 3.147 3.185 . 0 0 "[ . 1 . 2]" 1 1369 1 63 VAL HB 1 64 GLY H . . 4.530 3.744 3.475 3.912 . 0 0 "[ . 1 . 2]" 1 1370 1 63 VAL MG1 1 64 GLY H . . 4.300 4.205 4.103 4.288 . 0 0 "[ . 1 . 2]" 1 1371 1 63 VAL MG1 1 69 ASN H . . 4.430 3.578 3.179 3.894 . 0 0 "[ . 1 . 2]" 1 1372 1 63 VAL MG1 1 69 ASN HB2 . . 3.310 2.248 1.957 2.487 . 0 0 "[ . 1 . 2]" 1 1373 1 63 VAL MG1 1 69 ASN HB3 . . 3.500 3.244 2.909 3.501 0.001 11 0 "[ . 1 . 2]" 1 1374 1 63 VAL MG1 1 69 ASN HD21 . . 5.340 5.129 4.725 5.329 . 0 0 "[ . 1 . 2]" 1 1375 1 63 VAL MG2 1 64 GLY H . . 3.450 2.206 1.952 2.491 . 0 0 "[ . 1 . 2]" 1 1376 1 63 VAL MG2 1 67 GLN H . . 4.260 3.449 3.336 3.616 . 0 0 "[ . 1 . 2]" 1 1377 1 63 VAL MG2 1 67 GLN HB2 . . 3.170 1.991 1.846 2.090 . 0 0 "[ . 1 . 2]" 1 1378 1 63 VAL MG2 1 67 GLN HB3 . . 3.410 2.641 2.191 2.922 . 0 0 "[ . 1 . 2]" 1 1379 1 63 VAL MG2 1 67 GLN HG2 . . 4.430 4.317 3.984 4.427 . 0 0 "[ . 1 . 2]" 1 1380 1 63 VAL MG2 1 67 GLN HG3 . . 4.520 4.043 3.812 4.256 . 0 0 "[ . 1 . 2]" 1 1381 1 63 VAL MG2 1 68 TYR H . . 4.760 3.933 3.674 4.238 . 0 0 "[ . 1 . 2]" 1 1382 1 63 VAL MG2 1 68 TYR HA . . 4.250 3.256 3.003 3.487 . 0 0 "[ . 1 . 2]" 1 1383 1 63 VAL MG2 1 69 ASN H . . 3.880 2.848 2.625 3.076 . 0 0 "[ . 1 . 2]" 1 1384 1 63 VAL MG2 1 69 ASN HA . . 4.540 4.077 3.844 4.293 . 0 0 "[ . 1 . 2]" 1 1385 1 63 VAL MG2 1 69 ASN HB2 . . 3.550 2.565 2.332 2.742 . 0 0 "[ . 1 . 2]" 1 1386 1 63 VAL MG2 1 69 ASN HB3 . . 4.240 3.993 3.769 4.218 . 0 0 "[ . 1 . 2]" 1 1387 1 64 GLY H 1 67 GLN H . . 3.600 3.276 3.063 3.439 . 0 0 "[ . 1 . 2]" 1 1388 1 64 GLY H 1 67 GLN HB2 . . 4.370 3.507 3.138 3.821 . 0 0 "[ . 1 . 2]" 1 1389 1 65 ASN H 1 66 GLN H . . 4.600 2.770 2.652 2.878 . 0 0 "[ . 1 . 2]" 1 1390 1 65 ASN H 1 67 GLN H . . 4.750 4.185 4.076 4.300 . 0 0 "[ . 1 . 2]" 1 1391 1 65 ASN HA 1 67 GLN H . . 4.730 4.497 4.330 4.642 . 0 0 "[ . 1 . 2]" 1 1392 1 65 ASN QB 1 65 ASN QD . . 3.010 2.205 2.063 2.509 . 0 0 "[ . 1 . 2]" 1 1393 1 65 ASN QB 1 67 GLN H . . 4.170 3.705 3.536 3.955 . 0 0 "[ . 1 . 2]" 1 1394 1 65 ASN QB 1 67 GLN HB2 . . 4.440 3.627 3.512 3.777 . 0 0 "[ . 1 . 2]" 1 1395 1 65 ASN HB2 1 67 GLN H . . 4.880 4.194 3.879 4.804 . 0 0 "[ . 1 . 2]" 1 1396 1 65 ASN HB2 1 67 GLN HG2 . . 5.500 5.007 4.639 5.501 0.001 13 0 "[ . 1 . 2]" 1 1397 1 65 ASN HB2 1 67 GLN HG3 . . 4.470 3.458 3.073 4.244 . 0 0 "[ . 1 . 2]" 1 1398 1 65 ASN HB3 1 67 GLN H . . 4.880 4.304 3.647 4.863 . 0 0 "[ . 1 . 2]" 1 1399 1 65 ASN HB3 1 67 GLN HG2 . . 5.500 4.413 3.670 4.896 . 0 0 "[ . 1 . 2]" 1 1400 1 65 ASN HB3 1 67 GLN HG3 . . 4.470 2.908 2.115 3.345 . 0 0 "[ . 1 . 2]" 1 1401 1 66 GLN H 1 66 GLN HG2 . . 5.010 3.497 2.653 4.448 . 0 0 "[ . 1 . 2]" 1 1402 1 66 GLN H 1 66 GLN QG . . 4.290 2.925 2.628 3.180 . 0 0 "[ . 1 . 2]" 1 1403 1 66 GLN H 1 66 GLN HG3 . . 5.010 3.869 3.006 4.460 . 0 0 "[ . 1 . 2]" 1 1404 1 66 GLN H 1 67 GLN H . . 3.210 2.587 2.503 2.674 . 0 0 "[ . 1 . 2]" 1 1405 1 66 GLN HA 1 66 GLN QE . . 4.820 3.888 2.923 4.634 . 0 0 "[ . 1 . 2]" 1 1406 1 66 GLN HA 1 66 GLN HG2 . . 4.160 3.376 2.983 3.718 . 0 0 "[ . 1 . 2]" 1 1407 1 66 GLN HA 1 66 GLN QG . . 3.650 2.810 2.428 3.226 . 0 0 "[ . 1 . 2]" 1 1408 1 66 GLN HA 1 66 GLN HG3 . . 4.160 3.314 2.467 3.914 . 0 0 "[ . 1 . 2]" 1 1409 1 66 GLN HA 1 67 GLN H . . 3.430 2.945 2.850 2.985 . 0 0 "[ . 1 . 2]" 1 1410 1 66 GLN HA 1 68 TYR QE . . 4.110 3.816 3.311 4.062 . 0 0 "[ . 1 . 2]" 1 1411 1 66 GLN HB3 1 68 TYR QE . . 4.760 4.653 4.489 4.761 0.001 18 0 "[ . 1 . 2]" 1 1412 1 67 GLN H 1 67 GLN HB2 . . 3.060 2.625 2.555 2.711 . 0 0 "[ . 1 . 2]" 1 1413 1 67 GLN H 1 67 GLN HB3 . . 3.900 3.751 3.718 3.792 . 0 0 "[ . 1 . 2]" 1 1414 1 67 GLN H 1 67 GLN HG2 . . 4.140 3.942 3.670 4.102 . 0 0 "[ . 1 . 2]" 1 1415 1 67 GLN H 1 67 GLN HG3 . . 3.470 2.775 2.470 2.995 . 0 0 "[ . 1 . 2]" 1 1416 1 67 GLN H 1 68 TYR H . . 4.590 4.418 4.358 4.516 . 0 0 "[ . 1 . 2]" 1 1417 1 67 GLN HA 1 67 GLN HG2 . . 3.590 2.645 2.510 2.895 . 0 0 "[ . 1 . 2]" 1 1418 1 67 GLN HA 1 67 GLN HG3 . . 3.950 3.052 2.859 3.248 . 0 0 "[ . 1 . 2]" 1 1419 1 67 GLN HA 1 68 TYR H . . 2.890 2.190 2.142 2.407 . 0 0 "[ . 1 . 2]" 1 1420 1 67 GLN HA 1 68 TYR QD . . 4.150 3.599 3.231 3.930 . 0 0 "[ . 1 . 2]" 1 1421 1 67 GLN HB2 1 68 TYR H . . 4.800 4.055 3.502 4.223 . 0 0 "[ . 1 . 2]" 1 1422 1 67 GLN HB2 1 68 TYR HA . . 4.880 4.753 4.471 4.859 . 0 0 "[ . 1 . 2]" 1 1423 1 67 GLN HB2 1 69 ASN H . . 5.500 5.451 5.297 5.502 0.002 18 0 "[ . 1 . 2]" 1 1424 1 67 GLN HB3 1 68 TYR H . . 4.070 3.109 2.449 3.416 . 0 0 "[ . 1 . 2]" 1 1425 1 68 TYR H 1 68 TYR HB2 . . 3.530 2.548 2.456 2.731 . 0 0 "[ . 1 . 2]" 1 1426 1 68 TYR H 1 68 TYR HB3 . . 3.890 3.721 3.667 3.815 . 0 0 "[ . 1 . 2]" 1 1427 1 68 TYR H 1 68 TYR QD . . 3.430 2.956 2.743 3.313 . 0 0 "[ . 1 . 2]" 1 1428 1 68 TYR H 1 69 ASN H . . 5.260 4.222 4.087 4.308 . 0 0 "[ . 1 . 2]" 1 1429 1 68 TYR HA 1 68 TYR QD . . 3.660 2.910 2.720 3.033 . 0 0 "[ . 1 . 2]" 1 1430 1 68 TYR HA 1 68 TYR QE . . 4.720 4.593 4.526 4.671 . 0 0 "[ . 1 . 2]" 1 1431 1 68 TYR HA 1 69 ASN H . . 2.810 2.140 2.138 2.144 . 0 0 "[ . 1 . 2]" 1 1432 1 68 TYR HA 1 69 ASN HA . . 4.620 4.397 4.386 4.405 . 0 0 "[ . 1 . 2]" 1 1433 1 68 TYR HA 1 69 ASN HB2 . . 4.360 4.320 4.300 4.347 . 0 0 "[ . 1 . 2]" 1 1434 1 68 TYR HA 1 69 ASN HB3 . . 5.020 4.962 4.920 4.984 . 0 0 "[ . 1 . 2]" 1 1435 1 68 TYR HB2 1 69 ASN H . . 4.510 4.397 4.338 4.445 . 0 0 "[ . 1 . 2]" 1 1436 1 68 TYR HB2 1 70 VAL MG2 . . 4.210 3.736 3.627 3.877 . 0 0 "[ . 1 . 2]" 1 1437 1 68 TYR HB3 1 69 ASN H . . 3.670 3.565 3.460 3.635 . 0 0 "[ . 1 . 2]" 1 1438 1 68 TYR HB3 1 70 VAL MG2 . . 4.600 3.039 2.860 3.175 . 0 0 "[ . 1 . 2]" 1 1439 1 68 TYR QD 1 69 ASN H . . 4.470 4.249 4.118 4.390 . 0 0 "[ . 1 . 2]" 1 1440 1 69 ASN H 1 69 ASN HB2 . . 3.200 2.412 2.389 2.446 . 0 0 "[ . 1 . 2]" 1 1441 1 69 ASN H 1 69 ASN HB3 . . 3.270 2.824 2.783 2.845 . 0 0 "[ . 1 . 2]" 1 1442 1 69 ASN H 1 70 VAL H . . 4.530 4.432 4.367 4.503 . 0 0 "[ . 1 . 2]" 1 1443 1 69 ASN HA 1 69 ASN HD21 . . 4.350 2.290 2.063 2.616 . 0 0 "[ . 1 . 2]" 1 1444 1 69 ASN HA 1 69 ASN HD22 . . 4.720 3.439 3.341 3.590 . 0 0 "[ . 1 . 2]" 1 1445 1 69 ASN HA 1 70 VAL H . . 2.780 2.143 2.139 2.155 . 0 0 "[ . 1 . 2]" 1 1446 1 69 ASN HA 1 70 VAL HB . . 4.690 4.661 4.607 4.691 0.001 16 0 "[ . 1 . 2]" 1 1447 1 69 ASN HA 1 70 VAL MG2 . . 4.090 3.740 3.560 3.863 . 0 0 "[ . 1 . 2]" 1 1448 1 69 ASN HB2 1 70 VAL H . . 4.630 4.472 4.389 4.532 . 0 0 "[ . 1 . 2]" 1 1449 1 69 ASN HB3 1 70 VAL H . . 4.460 4.052 3.923 4.148 . 0 0 "[ . 1 . 2]" 1 1450 1 69 ASN HD21 1 70 VAL H . . 4.820 2.053 1.800 2.370 . 0 0 "[ . 1 . 2]" 1 1451 1 69 ASN HD21 1 70 VAL MG1 . . 5.160 4.941 4.828 5.071 . 0 0 "[ . 1 . 2]" 1 1452 1 69 ASN HD21 1 71 THR MG . . 4.940 4.793 4.639 4.925 . 0 0 "[ . 1 . 2]" 1 1453 1 69 ASN HD22 1 70 VAL H . . 5.220 3.509 3.224 3.771 . 0 0 "[ . 1 . 2]" 1 1454 1 69 ASN HD22 1 71 THR MG . . 4.620 4.330 4.124 4.488 . 0 0 "[ . 1 . 2]" 1 1455 1 70 VAL H 1 70 VAL HB . . 3.270 2.733 2.668 2.837 . 0 0 "[ . 1 . 2]" 1 1456 1 70 VAL H 1 70 VAL MG1 . . 4.040 3.890 3.861 3.935 . 0 0 "[ . 1 . 2]" 1 1457 1 70 VAL H 1 70 VAL MG2 . . 3.470 2.869 2.698 2.960 . 0 0 "[ . 1 . 2]" 1 1458 1 70 VAL H 1 71 THR H . . 4.480 4.212 4.071 4.335 . 0 0 "[ . 1 . 2]" 1 1459 1 70 VAL H 1 71 THR MG . . 5.500 5.496 5.434 5.511 0.011 19 0 "[ . 1 . 2]" 1 1460 1 70 VAL HA 1 70 VAL MG1 . . 3.360 2.326 2.251 2.373 . 0 0 "[ . 1 . 2]" 1 1461 1 70 VAL HA 1 70 VAL MG2 . . 3.240 2.348 2.283 2.481 . 0 0 "[ . 1 . 2]" 1 1462 1 70 VAL HA 1 71 THR H . . 2.840 2.145 2.139 2.167 . 0 0 "[ . 1 . 2]" 1 1463 1 70 VAL HA 1 71 THR HA . . 4.930 4.398 4.394 4.415 . 0 0 "[ . 1 . 2]" 1 1464 1 70 VAL HB 1 71 THR H . . 4.570 4.249 4.066 4.373 . 0 0 "[ . 1 . 2]" 1 1465 1 70 VAL MG1 1 71 THR H . . 3.310 2.785 2.494 3.132 . 0 0 "[ . 1 . 2]" 1 1466 1 70 VAL MG1 1 71 THR HA . . 4.340 3.644 3.459 3.768 . 0 0 "[ . 1 . 2]" 1 1467 1 70 VAL MG1 1 72 TYR HB2 . . 5.480 5.413 5.314 5.481 0.001 1 0 "[ . 1 . 2]" 1 1468 1 70 VAL MG1 1 72 TYR QD . . 3.510 3.143 2.939 3.328 . 0 0 "[ . 1 . 2]" 1 1469 1 70 VAL MG1 1 72 TYR QE . . 4.840 4.403 4.143 4.695 . 0 0 "[ . 1 . 2]" 1 1470 1 70 VAL MG2 1 71 THR H . . 4.270 4.104 4.026 4.177 . 0 0 "[ . 1 . 2]" 1 1471 1 71 THR H 1 71 THR HB . . 3.370 2.992 2.925 3.073 . 0 0 "[ . 1 . 2]" 1 1472 1 71 THR H 1 71 THR MG . . 4.000 3.946 3.899 3.984 . 0 0 "[ . 1 . 2]" 1 1473 1 71 THR H 1 72 TYR H . . 4.530 4.420 4.370 4.484 . 0 0 "[ . 1 . 2]" 1 1474 1 71 THR HA 1 71 THR MG . . 3.190 2.216 2.153 2.283 . 0 0 "[ . 1 . 2]" 1 1475 1 71 THR HA 1 72 TYR H . . 2.720 2.232 2.194 2.293 . 0 0 "[ . 1 . 2]" 1 1476 1 71 THR HA 1 72 TYR QD . . 4.150 3.885 3.531 4.119 . 0 0 "[ . 1 . 2]" 1 1477 1 71 THR HB 1 72 TYR H . . 3.850 3.634 3.478 3.774 . 0 0 "[ . 1 . 2]" 1 1478 1 71 THR MG 1 72 TYR H . . 3.430 2.271 1.948 2.469 . 0 0 "[ . 1 . 2]" 1 1479 1 72 TYR H 1 72 TYR HB3 . . 3.630 3.304 3.229 3.398 . 0 0 "[ . 1 . 2]" 1 1480 1 72 TYR H 1 72 TYR QD . . 3.450 3.179 2.836 3.307 . 0 0 "[ . 1 . 2]" 1 1481 1 72 TYR H 1 72 TYR QE . . 4.880 4.340 4.147 4.451 . 0 0 "[ . 1 . 2]" 1 1482 1 72 TYR H 1 73 VAL H . . 4.700 4.414 4.392 4.440 . 0 0 "[ . 1 . 2]" 1 1483 1 72 TYR HA 1 72 TYR QD . . 4.170 3.720 3.696 3.740 . 0 0 "[ . 1 . 2]" 1 1484 1 72 TYR HA 1 73 VAL H . . 2.920 2.528 2.489 2.535 . 0 0 "[ . 1 . 2]" 1 1485 1 72 TYR HA 1 73 VAL HB . . 4.860 4.522 4.408 4.738 . 0 0 "[ . 1 . 2]" 1 1486 1 72 TYR HA 1 73 VAL MG2 . . 4.020 3.456 3.214 3.605 . 0 0 "[ . 1 . 2]" 1 1487 1 72 TYR HB2 1 73 VAL H . . 3.410 2.173 2.164 2.237 . 0 0 "[ . 1 . 2]" 1 1488 1 72 TYR HB3 1 73 VAL H . . 3.600 3.606 3.586 3.624 0.024 14 0 "[ . 1 . 2]" 1 1489 1 72 TYR QD 1 73 VAL H . . 4.130 2.983 2.870 3.240 . 0 0 "[ . 1 . 2]" 1 1490 1 72 TYR QD 1 74 VAL H . . 4.990 3.565 3.053 3.976 . 0 0 "[ . 1 . 2]" 1 1491 1 72 TYR QD 1 74 VAL MG1 . . 3.370 2.536 2.243 2.981 . 0 0 "[ . 1 . 2]" 1 1492 1 72 TYR QD 1 74 VAL MG2 . . 4.150 3.809 3.585 4.045 . 0 0 "[ . 1 . 2]" 1 1493 1 72 TYR QD 1 82 LEU MD1 . . 4.030 3.883 3.673 4.021 . 0 0 "[ . 1 . 2]" 1 1494 1 72 TYR QE 1 72 TYR HH . . 3.150 2.522 2.216 2.639 . 0 0 "[ . 1 . 2]" 1 1495 1 72 TYR QE 1 74 VAL MG1 . . 3.440 2.628 2.130 3.356 . 0 0 "[ . 1 . 2]" 1 1496 1 72 TYR QE 1 74 VAL MG2 . . 3.440 3.205 2.844 3.446 0.006 4 0 "[ . 1 . 2]" 1 1497 1 72 TYR QE 1 82 LEU MD1 . . 4.060 3.154 2.709 3.526 . 0 0 "[ . 1 . 2]" 1 1498 1 72 TYR QE 1 82 LEU MD2 . . 3.850 3.393 3.058 3.741 . 0 0 "[ . 1 . 2]" 1 1499 1 72 TYR QE 1 98 VAL MG1 . . 4.200 3.942 3.672 4.168 . 0 0 "[ . 1 . 2]" 1 1500 1 72 TYR HH 1 98 VAL MG1 . . 3.800 3.505 3.110 3.800 . 0 0 "[ . 1 . 2]" 1 1501 1 72 TYR HH 1 98 VAL MG2 . . 3.750 3.544 3.313 3.751 0.001 16 0 "[ . 1 . 2]" 1 1502 1 73 VAL H 1 73 VAL HB . . 3.360 2.792 2.731 2.943 . 0 0 "[ . 1 . 2]" 1 1503 1 73 VAL H 1 73 VAL MG1 . . 4.150 3.892 3.847 3.977 . 0 0 "[ . 1 . 2]" 1 1504 1 73 VAL H 1 73 VAL MG2 . . 3.420 3.078 2.869 3.218 . 0 0 "[ . 1 . 2]" 1 1505 1 73 VAL HA 1 73 VAL MG1 . . 3.110 2.372 2.168 2.462 . 0 0 "[ . 1 . 2]" 1 1506 1 73 VAL HA 1 73 VAL MG2 . . 3.100 2.264 2.181 2.425 . 0 0 "[ . 1 . 2]" 1 1507 1 73 VAL HA 1 74 VAL H . . 2.930 2.164 2.141 2.223 . 0 0 "[ . 1 . 2]" 1 1508 1 73 VAL HA 1 74 VAL HA . . 4.480 4.399 4.389 4.425 . 0 0 "[ . 1 . 2]" 1 1509 1 73 VAL HA 1 74 VAL MG2 . . 4.130 3.700 3.598 3.849 . 0 0 "[ . 1 . 2]" 1 1510 1 73 VAL HB 1 74 VAL H . . 4.860 4.190 3.979 4.377 . 0 0 "[ . 1 . 2]" 1 1511 1 73 VAL MG1 1 74 VAL H . . 3.520 2.436 1.914 3.024 . 0 0 "[ . 1 . 2]" 1 1512 1 73 VAL MG1 1 75 LYS QD . . 3.750 3.206 2.337 3.726 . 0 0 "[ . 1 . 2]" 1 1513 1 73 VAL MG1 1 75 LYS QE . . 4.510 3.736 1.910 4.523 0.013 19 0 "[ . 1 . 2]" 1 1514 1 74 VAL H 1 74 VAL MG1 . . 3.750 2.822 2.482 3.026 . 0 0 "[ . 1 . 2]" 1 1515 1 74 VAL H 1 74 VAL MG2 . . 3.340 1.995 1.871 2.251 . 0 0 "[ . 1 . 2]" 1 1516 1 74 VAL HA 1 74 VAL MG1 . . 3.220 2.272 2.164 2.353 . 0 0 "[ . 1 . 2]" 1 1517 1 74 VAL HA 1 74 VAL MG2 . . 3.240 3.187 3.177 3.203 . 0 0 "[ . 1 . 2]" 1 1518 1 74 VAL HA 1 75 LYS H . . 3.140 2.203 2.140 2.390 . 0 0 "[ . 1 . 2]" 1 1519 1 74 VAL HB 1 75 LYS H . . 3.600 3.076 2.399 3.559 . 0 0 "[ . 1 . 2]" 1 1520 1 74 VAL HB 1 76 GLU H . . 3.480 2.735 2.443 3.048 . 0 0 "[ . 1 . 2]" 1 1521 1 74 VAL HB 1 80 TYR QE . . 3.940 3.220 2.662 3.562 . 0 0 "[ . 1 . 2]" 1 1522 1 74 VAL HB 1 100 VAL MG2 . . 4.400 4.054 3.602 4.394 . 0 0 "[ . 1 . 2]" 1 1523 1 74 VAL MG1 1 75 LYS H . . 4.250 3.827 3.552 4.024 . 0 0 "[ . 1 . 2]" 1 1524 1 74 VAL MG1 1 76 GLU H . . 4.800 4.215 4.058 4.450 . 0 0 "[ . 1 . 2]" 1 1525 1 74 VAL MG1 1 80 TYR QD . . 4.100 3.220 2.723 3.698 . 0 0 "[ . 1 . 2]" 1 1526 1 74 VAL MG1 1 80 TYR QE . . 3.630 2.375 1.815 3.204 . 0 0 "[ . 1 . 2]" 1 1527 1 74 VAL MG2 1 75 LYS H . . 4.180 3.925 3.466 4.175 . 0 0 "[ . 1 . 2]" 1 1528 1 74 VAL MG2 1 76 GLU H . . 4.400 3.586 2.956 4.242 . 0 0 "[ . 1 . 2]" 1 1529 1 74 VAL MG2 1 77 ARG HA . . 4.340 4.099 3.750 4.271 . 0 0 "[ . 1 . 2]" 1 1530 1 74 VAL MG2 1 80 TYR QE . . 3.880 3.666 3.443 3.877 . 0 0 "[ . 1 . 2]" 1 1531 1 74 VAL MG2 1 100 VAL MG1 . . 3.120 2.836 2.381 3.118 . 0 0 "[ . 1 . 2]" 1 1532 1 74 VAL MG2 1 100 VAL MG2 . . 3.030 2.621 2.270 2.890 . 0 0 "[ . 1 . 2]" 1 1533 1 75 LYS H 1 75 LYS HB2 . . 3.920 2.415 2.207 2.628 . 0 0 "[ . 1 . 2]" 1 1534 1 75 LYS H 1 75 LYS QB . . 3.360 2.352 2.185 2.555 . 0 0 "[ . 1 . 2]" 1 1535 1 75 LYS H 1 75 LYS HB3 . . 3.920 3.378 2.835 3.727 . 0 0 "[ . 1 . 2]" 1 1536 1 75 LYS H 1 75 LYS HG2 . . 4.900 3.747 2.382 4.830 . 0 0 "[ . 1 . 2]" 1 1537 1 75 LYS H 1 75 LYS QG . . 4.210 3.416 2.357 4.186 . 0 0 "[ . 1 . 2]" 1 1538 1 75 LYS H 1 75 LYS HG3 . . 4.900 4.198 3.666 4.614 . 0 0 "[ . 1 . 2]" 1 1539 1 75 LYS H 1 76 GLU H . . 3.130 2.335 1.815 2.790 . 0 0 "[ . 1 . 2]" 1 1540 1 75 LYS H 1 80 TYR QE . . 5.500 4.952 4.395 5.471 . 0 0 "[ . 1 . 2]" 1 1541 1 75 LYS HA 1 75 LYS QD . . 3.620 2.270 1.988 3.171 . 0 0 "[ . 1 . 2]" 1 1542 1 75 LYS HA 1 75 LYS QE . . 4.410 3.717 1.944 4.320 . 0 0 "[ . 1 . 2]" 1 1543 1 75 LYS HA 1 75 LYS HG2 . . 4.240 3.233 2.647 3.652 . 0 0 "[ . 1 . 2]" 1 1544 1 75 LYS HA 1 75 LYS QG . . 3.600 2.606 2.168 2.960 . 0 0 "[ . 1 . 2]" 1 1545 1 75 LYS HA 1 75 LYS HG3 . . 4.240 3.114 2.189 3.826 . 0 0 "[ . 1 . 2]" 1 1546 1 75 LYS QB 1 75 LYS QD . . 3.410 2.345 2.110 2.622 . 0 0 "[ . 1 . 2]" 1 1547 1 75 LYS QB 1 75 LYS QE . . 3.770 3.118 2.006 3.801 0.031 13 0 "[ . 1 . 2]" 1 1548 1 75 LYS QB 1 76 GLU H . . 3.700 3.294 2.781 3.699 . 0 0 "[ . 1 . 2]" 1 1549 1 75 LYS HB2 1 75 LYS QE . . 4.480 3.687 2.037 4.334 . 0 0 "[ . 1 . 2]" 1 1550 1 75 LYS HB2 1 76 GLU H . . 4.410 3.675 2.843 4.387 . 0 0 "[ . 1 . 2]" 1 1551 1 75 LYS HB3 1 75 LYS QE . . 4.480 3.631 2.018 4.493 0.013 19 0 "[ . 1 . 2]" 1 1552 1 75 LYS HB3 1 76 GLU H . . 4.410 3.900 2.971 4.396 . 0 0 "[ . 1 . 2]" 1 1553 1 75 LYS QE 1 75 LYS HG2 . . 3.620 2.761 2.151 3.482 . 0 0 "[ . 1 . 2]" 1 1554 1 75 LYS QE 1 75 LYS HG3 . . 3.620 2.573 2.106 3.479 . 0 0 "[ . 1 . 2]" 1 1555 1 76 GLU H 1 76 GLU QB . . 3.150 2.588 2.337 2.889 . 0 0 "[ . 1 . 2]" 1 1556 1 76 GLU H 1 76 GLU HG2 . . 4.850 4.681 4.415 4.829 . 0 0 "[ . 1 . 2]" 1 1557 1 76 GLU H 1 76 GLU HG3 . . 4.850 4.641 4.421 4.854 0.004 3 0 "[ . 1 . 2]" 1 1558 1 76 GLU H 1 77 ARG H . . 4.720 4.458 4.364 4.551 . 0 0 "[ . 1 . 2]" 1 1559 1 76 GLU H 1 80 TYR QE . . 4.690 4.326 3.958 4.615 . 0 0 "[ . 1 . 2]" 1 1560 1 76 GLU H 1 80 TYR HH . . 4.540 2.844 2.372 3.262 . 0 0 "[ . 1 . 2]" 1 1561 1 76 GLU HA 1 76 GLU HG2 . . 3.850 3.135 2.367 3.735 . 0 0 "[ . 1 . 2]" 1 1562 1 76 GLU HA 1 76 GLU QG . . 3.380 2.433 2.239 2.958 . 0 0 "[ . 1 . 2]" 1 1563 1 76 GLU HA 1 76 GLU HG3 . . 3.850 2.640 2.291 3.568 . 0 0 "[ . 1 . 2]" 1 1564 1 76 GLU HA 1 77 ARG H . . 3.000 2.394 2.269 2.523 . 0 0 "[ . 1 . 2]" 1 1565 1 76 GLU QB 1 77 ARG H . . 3.590 3.213 3.032 3.443 . 0 0 "[ . 1 . 2]" 1 1566 1 76 GLU QB 1 80 TYR QE . . 4.570 3.731 3.084 4.110 . 0 0 "[ . 1 . 2]" 1 1567 1 76 GLU HG2 1 77 ARG H . . 4.000 2.449 1.883 3.793 . 0 0 "[ . 1 . 2]" 1 1568 1 76 GLU HG3 1 77 ARG H . . 4.000 2.515 1.904 3.679 . 0 0 "[ . 1 . 2]" 1 1569 1 77 ARG H 1 77 ARG QB . . 3.130 2.891 2.704 3.024 . 0 0 "[ . 1 . 2]" 1 1570 1 77 ARG H 1 77 ARG HD2 . . 4.830 4.157 1.913 4.724 . 0 0 "[ . 1 . 2]" 1 1571 1 77 ARG H 1 77 ARG QD . . 4.090 3.167 1.864 4.078 . 0 0 "[ . 1 . 2]" 1 1572 1 77 ARG H 1 77 ARG HD3 . . 4.830 3.382 1.884 4.773 . 0 0 "[ . 1 . 2]" 1 1573 1 77 ARG H 1 77 ARG HG2 . . 3.880 2.290 1.907 3.886 0.006 6 0 "[ . 1 . 2]" 1 1574 1 77 ARG H 1 77 ARG QG . . 3.350 2.150 1.889 2.718 . 0 0 "[ . 1 . 2]" 1 1575 1 77 ARG H 1 77 ARG HG3 . . 3.880 3.330 2.221 3.843 . 0 0 "[ . 1 . 2]" 1 1576 1 77 ARG HA 1 77 ARG HD2 . . 4.940 4.640 3.708 4.901 . 0 0 "[ . 1 . 2]" 1 1577 1 77 ARG HA 1 77 ARG HD3 . . 4.940 4.545 3.701 4.942 0.002 14 0 "[ . 1 . 2]" 1 1578 1 77 ARG HA 1 77 ARG QG . . 3.730 3.296 2.620 3.441 . 0 0 "[ . 1 . 2]" 1 1579 1 77 ARG HA 1 78 GLY H . . 3.040 2.482 2.216 2.644 . 0 0 "[ . 1 . 2]" 1 1580 1 77 ARG HA 1 78 GLY QA . . 4.840 4.040 3.935 4.104 . 0 0 "[ . 1 . 2]" 1 1581 1 77 ARG HA 1 80 TYR QE . . 4.530 2.608 2.332 2.965 . 0 0 "[ . 1 . 2]" 1 1582 1 77 ARG HA 1 100 VAL H . . 4.990 4.583 4.375 4.884 . 0 0 "[ . 1 . 2]" 1 1583 1 77 ARG HA 1 100 VAL HB . . 3.620 2.173 2.000 2.460 . 0 0 "[ . 1 . 2]" 1 1584 1 77 ARG HA 1 100 VAL MG1 . . 3.230 2.175 1.981 2.426 . 0 0 "[ . 1 . 2]" 1 1585 1 77 ARG HA 1 100 VAL MG2 . . 4.040 3.105 2.335 3.595 . 0 0 "[ . 1 . 2]" 1 1586 1 77 ARG QB 1 77 ARG QD . . 3.020 2.140 2.033 2.281 . 0 0 "[ . 1 . 2]" 1 1587 1 77 ARG QB 1 78 GLY H . . 3.290 2.301 2.007 2.904 . 0 0 "[ . 1 . 2]" 1 1588 1 77 ARG QB 1 78 GLY QA . . 3.900 3.676 3.454 3.863 . 0 0 "[ . 1 . 2]" 1 1589 1 77 ARG HB2 1 77 ARG HD2 . . 4.220 2.901 2.374 3.679 . 0 0 "[ . 1 . 2]" 1 1590 1 77 ARG HB2 1 77 ARG HD3 . . 4.220 3.405 2.284 4.204 . 0 0 "[ . 1 . 2]" 1 1591 1 77 ARG HB2 1 100 VAL HB . . 4.880 2.988 2.323 3.700 . 0 0 "[ . 1 . 2]" 1 1592 1 77 ARG HB2 1 100 VAL MG1 . . 3.800 2.594 2.078 3.740 . 0 0 "[ . 1 . 2]" 1 1593 1 77 ARG HB2 1 100 VAL MG2 . . 4.870 4.440 3.886 4.864 . 0 0 "[ . 1 . 2]" 1 1594 1 77 ARG HB3 1 77 ARG HD2 . . 4.220 2.728 2.086 4.196 . 0 0 "[ . 1 . 2]" 1 1595 1 77 ARG HB3 1 77 ARG HD3 . . 4.220 2.648 2.325 3.569 . 0 0 "[ . 1 . 2]" 1 1596 1 77 ARG HB3 1 100 VAL HB . . 4.880 3.525 2.046 3.921 . 0 0 "[ . 1 . 2]" 1 1597 1 77 ARG HB3 1 100 VAL MG1 . . 3.800 2.290 1.976 2.599 . 0 0 "[ . 1 . 2]" 1 1598 1 77 ARG HB3 1 100 VAL MG2 . . 4.870 4.544 3.670 4.863 . 0 0 "[ . 1 . 2]" 1 1599 1 77 ARG QG 1 78 GLY H . . 4.380 3.522 3.045 4.055 . 0 0 "[ . 1 . 2]" 1 1600 1 77 ARG HG2 1 78 GLY H . . 5.130 4.282 3.600 4.835 . 0 0 "[ . 1 . 2]" 1 1601 1 77 ARG HG3 1 78 GLY H . . 5.130 3.849 3.137 4.883 . 0 0 "[ . 1 . 2]" 1 1602 1 78 GLY H 1 79 ASP H . . 4.920 4.433 4.196 4.532 . 0 0 "[ . 1 . 2]" 1 1603 1 78 GLY H 1 80 TYR QE . . 4.380 3.553 2.946 4.072 . 0 0 "[ . 1 . 2]" 1 1604 1 78 GLY H 1 100 VAL H . . 3.840 2.897 2.694 3.154 . 0 0 "[ . 1 . 2]" 1 1605 1 78 GLY H 1 100 VAL HB . . 3.080 1.984 1.899 2.208 . 0 0 "[ . 1 . 2]" 1 1606 1 78 GLY H 1 100 VAL MG1 . . 3.600 3.254 2.979 3.582 . 0 0 "[ . 1 . 2]" 1 1607 1 78 GLY H 1 100 VAL MG2 . . 3.950 3.476 3.003 3.797 . 0 0 "[ . 1 . 2]" 1 1608 1 78 GLY QA 1 79 ASP H . . 2.780 2.200 2.112 2.283 . 0 0 "[ . 1 . 2]" 1 1609 1 78 GLY HA2 1 79 ASP H . . 3.220 2.885 2.550 3.183 . 0 0 "[ . 1 . 2]" 1 1610 1 78 GLY HA3 1 79 ASP H . . 3.220 2.305 2.143 2.575 . 0 0 "[ . 1 . 2]" 1 1611 1 79 ASP H 1 79 ASP HB2 . . 3.820 3.073 2.376 3.701 . 0 0 "[ . 1 . 2]" 1 1612 1 79 ASP H 1 79 ASP QB . . 3.050 2.602 2.197 2.984 . 0 0 "[ . 1 . 2]" 1 1613 1 79 ASP H 1 79 ASP HB3 . . 3.820 3.161 2.251 3.693 . 0 0 "[ . 1 . 2]" 1 1614 1 79 ASP H 1 80 TYR H . . 4.650 4.372 4.158 4.553 . 0 0 "[ . 1 . 2]" 1 1615 1 79 ASP HA 1 80 TYR H . . 2.810 2.158 2.139 2.197 . 0 0 "[ . 1 . 2]" 1 1616 1 79 ASP HA 1 98 VAL H . . 5.210 5.072 4.839 5.211 0.001 4 0 "[ . 1 . 2]" 1 1617 1 79 ASP HA 1 99 THR HA . . 3.440 2.952 2.642 3.342 . 0 0 "[ . 1 . 2]" 1 1618 1 79 ASP HA 1 100 VAL H . . 4.250 3.923 3.551 4.211 . 0 0 "[ . 1 . 2]" 1 1619 1 79 ASP QB 1 80 TYR H . . 3.700 3.451 3.140 3.694 . 0 0 "[ . 1 . 2]" 1 1620 1 79 ASP HB2 1 80 TYR H . . 4.430 3.966 3.321 4.382 . 0 0 "[ . 1 . 2]" 1 1621 1 79 ASP HB3 1 80 TYR H . . 4.430 3.978 3.242 4.399 . 0 0 "[ . 1 . 2]" 1 1622 1 80 TYR H 1 80 TYR HB2 . . 3.850 2.368 2.207 2.525 . 0 0 "[ . 1 . 2]" 1 1623 1 80 TYR H 1 80 TYR QB . . 3.160 2.336 2.185 2.481 . 0 0 "[ . 1 . 2]" 1 1624 1 80 TYR H 1 80 TYR HB3 . . 3.850 3.584 3.500 3.644 . 0 0 "[ . 1 . 2]" 1 1625 1 80 TYR H 1 80 TYR QD . . 3.580 2.913 2.495 3.251 . 0 0 "[ . 1 . 2]" 1 1626 1 80 TYR H 1 80 TYR QE . . 5.500 5.131 4.739 5.459 . 0 0 "[ . 1 . 2]" 1 1627 1 80 TYR H 1 81 VAL H . . 4.610 4.526 4.461 4.592 . 0 0 "[ . 1 . 2]" 1 1628 1 80 TYR H 1 81 VAL MG2 . . 5.470 4.520 4.261 4.830 . 0 0 "[ . 1 . 2]" 1 1629 1 80 TYR H 1 98 VAL H . . 3.790 3.565 3.158 3.792 0.002 11 0 "[ . 1 . 2]" 1 1630 1 80 TYR H 1 98 VAL HB . . 4.120 3.591 3.311 3.863 . 0 0 "[ . 1 . 2]" 1 1631 1 80 TYR H 1 98 VAL MG1 . . 4.330 4.015 3.736 4.287 . 0 0 "[ . 1 . 2]" 1 1632 1 80 TYR H 1 99 THR HA . . 4.450 3.408 3.031 3.853 . 0 0 "[ . 1 . 2]" 1 1633 1 80 TYR H 1 100 VAL H . . 5.190 4.464 4.069 4.871 . 0 0 "[ . 1 . 2]" 1 1634 1 80 TYR H 1 100 VAL MG2 . . 5.500 4.243 3.435 4.631 . 0 0 "[ . 1 . 2]" 1 1635 1 80 TYR HA 1 80 TYR QD . . 4.170 2.997 2.813 3.065 . 0 0 "[ . 1 . 2]" 1 1636 1 80 TYR HA 1 81 VAL H . . 2.990 2.345 2.225 2.447 . 0 0 "[ . 1 . 2]" 1 1637 1 80 TYR HA 1 81 VAL HB . . 4.690 4.547 4.382 4.680 . 0 0 "[ . 1 . 2]" 1 1638 1 80 TYR HA 1 98 VAL HB . . 5.130 4.667 4.403 5.036 . 0 0 "[ . 1 . 2]" 1 1639 1 80 TYR QB 1 81 VAL H . . 3.390 2.591 2.370 2.906 . 0 0 "[ . 1 . 2]" 1 1640 1 80 TYR QB 1 98 VAL H . . 3.890 3.513 3.286 3.829 . 0 0 "[ . 1 . 2]" 1 1641 1 80 TYR QB 1 98 VAL HB . . 3.410 2.108 1.961 2.427 . 0 0 "[ . 1 . 2]" 1 1642 1 80 TYR QB 1 98 VAL MG1 . . 3.620 2.627 2.140 3.078 . 0 0 "[ . 1 . 2]" 1 1643 1 80 TYR QB 1 98 VAL MG2 . . 3.740 3.439 3.248 3.734 . 0 0 "[ . 1 . 2]" 1 1644 1 80 TYR QB 1 100 VAL MG2 . . 4.430 3.373 3.136 3.719 . 0 0 "[ . 1 . 2]" 1 1645 1 80 TYR HB2 1 81 VAL H . . 4.170 3.942 3.793 4.165 . 0 0 "[ . 1 . 2]" 1 1646 1 80 TYR HB2 1 98 VAL H . . 4.630 3.736 3.490 4.108 . 0 0 "[ . 1 . 2]" 1 1647 1 80 TYR HB2 1 98 VAL HB . . 3.990 2.188 2.018 2.581 . 0 0 "[ . 1 . 2]" 1 1648 1 80 TYR HB2 1 98 VAL MG1 . . 4.150 2.703 2.192 3.191 . 0 0 "[ . 1 . 2]" 1 1649 1 80 TYR HB2 1 98 VAL MG2 . . 4.370 3.834 3.668 4.152 . 0 0 "[ . 1 . 2]" 1 1650 1 80 TYR HB3 1 81 VAL H . . 4.170 2.629 2.394 2.967 . 0 0 "[ . 1 . 2]" 1 1651 1 80 TYR HB3 1 98 VAL H . . 4.630 4.285 3.960 4.576 . 0 0 "[ . 1 . 2]" 1 1652 1 80 TYR HB3 1 98 VAL HB . . 3.990 2.813 2.410 3.163 . 0 0 "[ . 1 . 2]" 1 1653 1 80 TYR HB3 1 98 VAL MG1 . . 4.150 3.599 2.982 4.042 . 0 0 "[ . 1 . 2]" 1 1654 1 80 TYR HB3 1 98 VAL MG2 . . 4.370 3.900 3.547 4.277 . 0 0 "[ . 1 . 2]" 1 1655 1 80 TYR QD 1 81 VAL H . . 4.690 3.404 3.048 4.041 . 0 0 "[ . 1 . 2]" 1 1656 1 80 TYR QD 1 98 VAL HB . . 4.710 4.169 3.989 4.518 . 0 0 "[ . 1 . 2]" 1 1657 1 80 TYR QD 1 100 VAL H . . 4.570 3.801 3.522 4.235 . 0 0 "[ . 1 . 2]" 1 1658 1 80 TYR QD 1 100 VAL HB . . 4.570 3.574 2.975 4.144 . 0 0 "[ . 1 . 2]" 1 1659 1 80 TYR QD 1 100 VAL MG2 . . 3.550 2.420 1.994 3.070 . 0 0 "[ . 1 . 2]" 1 1660 1 80 TYR QE 1 100 VAL H . . 5.070 4.849 4.621 5.033 . 0 0 "[ . 1 . 2]" 1 1661 1 80 TYR QE 1 100 VAL HB . . 3.820 3.210 2.806 3.816 . 0 0 "[ . 1 . 2]" 1 1662 1 80 TYR QE 1 100 VAL MG1 . . 4.110 3.745 3.389 4.027 . 0 0 "[ . 1 . 2]" 1 1663 1 80 TYR QE 1 100 VAL MG2 . . 3.550 2.703 2.084 3.316 . 0 0 "[ . 1 . 2]" 1 1664 1 81 VAL H 1 81 VAL HB . . 3.360 2.700 2.581 2.814 . 0 0 "[ . 1 . 2]" 1 1665 1 81 VAL H 1 81 VAL MG1 . . 4.280 3.864 3.823 3.902 . 0 0 "[ . 1 . 2]" 1 1666 1 81 VAL H 1 81 VAL MG2 . . 3.430 2.922 2.615 3.204 . 0 0 "[ . 1 . 2]" 1 1667 1 81 VAL H 1 82 LEU H . . 4.390 4.100 3.921 4.334 . 0 0 "[ . 1 . 2]" 1 1668 1 81 VAL HA 1 81 VAL MG1 . . 3.380 2.408 2.293 2.466 . 0 0 "[ . 1 . 2]" 1 1669 1 81 VAL HA 1 81 VAL MG2 . . 3.320 2.300 2.166 2.434 . 0 0 "[ . 1 . 2]" 1 1670 1 81 VAL HA 1 82 LEU H . . 2.840 2.160 2.140 2.183 . 0 0 "[ . 1 . 2]" 1 1671 1 81 VAL HA 1 82 LEU HB3 . . 4.990 4.481 4.412 4.535 . 0 0 "[ . 1 . 2]" 1 1672 1 81 VAL HA 1 97 HIS HA . . 4.060 3.632 3.178 3.943 . 0 0 "[ . 1 . 2]" 1 1673 1 81 VAL HA 1 98 VAL H . . 4.130 3.585 3.124 3.967 . 0 0 "[ . 1 . 2]" 1 1674 1 81 VAL HB 1 82 LEU H . . 4.490 4.357 4.124 4.468 . 0 0 "[ . 1 . 2]" 1 1675 1 81 VAL MG1 1 82 LEU H . . 3.510 2.925 2.267 3.223 . 0 0 "[ . 1 . 2]" 1 1676 1 81 VAL MG1 1 82 LEU HA . . 4.360 3.913 3.564 4.099 . 0 0 "[ . 1 . 2]" 1 1677 1 81 VAL MG1 1 83 ALA H . . 4.530 4.124 3.786 4.447 . 0 0 "[ . 1 . 2]" 1 1678 1 81 VAL MG1 1 95 PRO HA . . 4.300 3.648 3.234 3.863 . 0 0 "[ . 1 . 2]" 1 1679 1 81 VAL MG1 1 95 PRO HB2 . . 3.630 2.029 1.892 2.285 . 0 0 "[ . 1 . 2]" 1 1680 1 81 VAL MG1 1 95 PRO QB . . 2.990 1.952 1.852 2.169 . 0 0 "[ . 1 . 2]" 1 1681 1 81 VAL MG1 1 95 PRO HB3 . . 3.630 2.560 2.308 2.742 . 0 0 "[ . 1 . 2]" 1 1682 1 81 VAL MG1 1 95 PRO HG2 . . 4.350 3.682 3.431 3.937 . 0 0 "[ . 1 . 2]" 1 1683 1 81 VAL MG1 1 95 PRO HG3 . . 4.350 3.450 3.134 3.632 . 0 0 "[ . 1 . 2]" 1 1684 1 81 VAL MG1 1 96 PHE H . . 4.400 3.908 3.304 4.220 . 0 0 "[ . 1 . 2]" 1 1685 1 81 VAL MG2 1 82 LEU H . . 4.190 4.116 3.946 4.191 0.001 19 0 "[ . 1 . 2]" 1 1686 1 81 VAL MG2 1 97 HIS HA . . 4.400 4.034 3.305 4.355 . 0 0 "[ . 1 . 2]" 1 1687 1 81 VAL MG2 1 97 HIS HD2 . . 4.820 4.176 3.225 4.534 . 0 0 "[ . 1 . 2]" 1 1688 1 81 VAL MG2 1 98 VAL H . . 4.910 4.436 3.618 4.817 . 0 0 "[ . 1 . 2]" 1 1689 1 82 LEU H 1 82 LEU HB2 . . 3.780 2.901 2.788 3.138 . 0 0 "[ . 1 . 2]" 1 1690 1 82 LEU H 1 82 LEU HB3 . . 3.450 2.365 2.280 2.496 . 0 0 "[ . 1 . 2]" 1 1691 1 82 LEU H 1 82 LEU MD1 . . 4.350 4.282 4.209 4.347 . 0 0 "[ . 1 . 2]" 1 1692 1 82 LEU H 1 82 LEU MD2 . . 4.430 4.239 4.147 4.391 . 0 0 "[ . 1 . 2]" 1 1693 1 82 LEU H 1 82 LEU HG . . 4.430 4.324 4.265 4.376 . 0 0 "[ . 1 . 2]" 1 1694 1 82 LEU H 1 83 ALA H . . 4.750 4.417 4.215 4.544 . 0 0 "[ . 1 . 2]" 1 1695 1 82 LEU H 1 95 PRO HA . . 4.780 4.601 4.146 4.779 . 0 0 "[ . 1 . 2]" 1 1696 1 82 LEU H 1 96 PHE H . . 3.760 3.319 3.052 3.567 . 0 0 "[ . 1 . 2]" 1 1697 1 82 LEU H 1 96 PHE HB2 . . 4.290 3.414 3.137 3.608 . 0 0 "[ . 1 . 2]" 1 1698 1 82 LEU H 1 96 PHE HB3 . . 4.780 4.317 3.978 4.542 . 0 0 "[ . 1 . 2]" 1 1699 1 82 LEU H 1 96 PHE QD . . 5.130 5.044 4.867 5.130 . 0 0 "[ . 1 . 2]" 1 1700 1 82 LEU H 1 98 VAL H . . 4.640 4.009 3.800 4.485 . 0 0 "[ . 1 . 2]" 1 1701 1 82 LEU H 1 98 VAL MG2 . . 4.050 3.427 3.094 3.890 . 0 0 "[ . 1 . 2]" 1 1702 1 82 LEU HA 1 82 LEU MD1 . . 3.450 2.263 2.002 2.450 . 0 0 "[ . 1 . 2]" 1 1703 1 82 LEU HA 1 82 LEU MD2 . . 4.090 3.938 3.895 3.982 . 0 0 "[ . 1 . 2]" 1 1704 1 82 LEU HA 1 82 LEU HG . . 4.110 3.223 3.156 3.290 . 0 0 "[ . 1 . 2]" 1 1705 1 82 LEU HA 1 83 ALA H . . 2.830 2.148 2.139 2.202 . 0 0 "[ . 1 . 2]" 1 1706 1 82 LEU HB2 1 82 LEU MD1 . . 3.610 2.261 2.179 2.421 . 0 0 "[ . 1 . 2]" 1 1707 1 82 LEU HB2 1 82 LEU MD2 . . 3.550 2.431 2.283 2.541 . 0 0 "[ . 1 . 2]" 1 1708 1 82 LEU HB2 1 84 VAL MG2 . . 5.080 4.576 4.433 4.759 . 0 0 "[ . 1 . 2]" 1 1709 1 82 LEU HB2 1 96 PHE H . . 5.030 4.786 4.611 4.919 . 0 0 "[ . 1 . 2]" 1 1710 1 82 LEU HB2 1 96 PHE HB2 . . 4.240 3.716 3.657 3.821 . 0 0 "[ . 1 . 2]" 1 1711 1 82 LEU HB2 1 96 PHE HB3 . . 4.810 4.704 4.577 4.795 . 0 0 "[ . 1 . 2]" 1 1712 1 82 LEU HB2 1 96 PHE QD . . 5.410 5.235 5.091 5.380 . 0 0 "[ . 1 . 2]" 1 1713 1 82 LEU HB2 1 98 VAL MG2 . . 3.660 2.844 2.567 3.111 . 0 0 "[ . 1 . 2]" 1 1714 1 82 LEU HB3 1 82 LEU MD2 . . 3.420 2.242 2.134 2.383 . 0 0 "[ . 1 . 2]" 1 1715 1 82 LEU HB3 1 83 ALA H . . 4.480 4.332 4.127 4.448 . 0 0 "[ . 1 . 2]" 1 1716 1 82 LEU HB3 1 84 VAL MG2 . . 4.430 4.149 4.000 4.406 . 0 0 "[ . 1 . 2]" 1 1717 1 82 LEU HB3 1 96 PHE H . . 4.050 3.121 2.920 3.287 . 0 0 "[ . 1 . 2]" 1 1718 1 82 LEU HB3 1 96 PHE HB2 . . 3.980 2.042 2.001 2.100 . 0 0 "[ . 1 . 2]" 1 1719 1 82 LEU HB3 1 96 PHE HB3 . . 4.170 3.347 3.194 3.446 . 0 0 "[ . 1 . 2]" 1 1720 1 82 LEU HB3 1 96 PHE QD . . 4.090 3.733 3.572 3.926 . 0 0 "[ . 1 . 2]" 1 1721 1 82 LEU HB3 1 98 VAL MG2 . . 4.290 3.097 2.869 3.356 . 0 0 "[ . 1 . 2]" 1 1722 1 82 LEU MD1 1 83 ALA H . . 3.600 2.595 2.291 2.933 . 0 0 "[ . 1 . 2]" 1 1723 1 82 LEU MD1 1 84 VAL MG2 . . 3.420 2.381 2.171 2.784 . 0 0 "[ . 1 . 2]" 1 1724 1 82 LEU MD1 1 96 PHE HB2 . . 4.800 4.616 4.495 4.717 . 0 0 "[ . 1 . 2]" 1 1725 1 82 LEU MD1 1 96 PHE QD . . 5.320 5.011 4.804 5.119 . 0 0 "[ . 1 . 2]" 1 1726 1 82 LEU MD2 1 84 VAL MG2 . . 3.620 2.404 2.234 2.544 . 0 0 "[ . 1 . 2]" 1 1727 1 82 LEU MD2 1 96 PHE HB2 . . 3.800 2.655 2.354 2.952 . 0 0 "[ . 1 . 2]" 1 1728 1 82 LEU MD2 1 96 PHE HB3 . . 4.030 3.497 3.206 3.739 . 0 0 "[ . 1 . 2]" 1 1729 1 82 LEU MD2 1 96 PHE QD . . 3.860 3.266 2.944 3.576 . 0 0 "[ . 1 . 2]" 1 1730 1 82 LEU HG 1 83 ALA H . . 4.670 3.358 2.827 3.628 . 0 0 "[ . 1 . 2]" 1 1731 1 82 LEU HG 1 84 VAL H . . 5.320 3.817 3.677 4.052 . 0 0 "[ . 1 . 2]" 1 1732 1 82 LEU HG 1 84 VAL MG2 . . 3.560 2.108 1.973 2.368 . 0 0 "[ . 1 . 2]" 1 1733 1 82 LEU HG 1 96 PHE HB2 . . 4.390 3.572 3.338 3.718 . 0 0 "[ . 1 . 2]" 1 1734 1 82 LEU HG 1 96 PHE HB3 . . 5.390 5.186 4.969 5.361 . 0 0 "[ . 1 . 2]" 1 1735 1 82 LEU HG 1 96 PHE QD . . 3.850 3.697 3.449 3.845 . 0 0 "[ . 1 . 2]" 1 1736 1 83 ALA H 1 83 ALA MB . . 3.210 2.396 2.262 2.531 . 0 0 "[ . 1 . 2]" 1 1737 1 83 ALA HA 1 84 VAL H . . 2.860 2.152 2.142 2.164 . 0 0 "[ . 1 . 2]" 1 1738 1 83 ALA HA 1 84 VAL MG2 . . 4.410 3.721 3.388 3.918 . 0 0 "[ . 1 . 2]" 1 1739 1 83 ALA HA 1 90 HIS HE1 . . 5.260 4.799 4.661 5.050 . 0 0 "[ . 1 . 2]" 1 1740 1 83 ALA HA 1 94 SER HA . . 4.900 4.755 4.569 4.865 . 0 0 "[ . 1 . 2]" 1 1741 1 83 ALA HA 1 94 SER HG . . 4.440 3.314 3.190 3.458 . 0 0 "[ . 1 . 2]" 1 1742 1 83 ALA HA 1 95 PRO HA . . 4.020 3.067 2.960 3.204 . 0 0 "[ . 1 . 2]" 1 1743 1 83 ALA HA 1 95 PRO QB . . 4.700 3.664 3.482 3.871 . 0 0 "[ . 1 . 2]" 1 1744 1 83 ALA HA 1 96 PHE H . . 4.200 4.038 3.846 4.189 . 0 0 "[ . 1 . 2]" 1 1745 1 83 ALA MB 1 84 VAL H . . 3.750 3.358 3.276 3.433 . 0 0 "[ . 1 . 2]" 1 1746 1 83 ALA MB 1 90 HIS HE1 . . 3.590 3.251 3.120 3.474 . 0 0 "[ . 1 . 2]" 1 1747 1 83 ALA MB 1 94 SER HG . . 4.060 3.988 3.744 4.063 0.003 11 0 "[ . 1 . 2]" 1 1748 1 83 ALA MB 1 95 PRO HA . . 4.200 4.081 3.838 4.198 . 0 0 "[ . 1 . 2]" 1 1749 1 84 VAL H 1 84 VAL HB . . 3.860 2.687 2.622 2.827 . 0 0 "[ . 1 . 2]" 1 1750 1 84 VAL H 1 84 VAL MG2 . . 3.690 2.669 2.341 2.848 . 0 0 "[ . 1 . 2]" 1 1751 1 84 VAL H 1 91 ILE H . . 5.350 4.973 4.816 5.098 . 0 0 "[ . 1 . 2]" 1 1752 1 84 VAL H 1 91 ILE MD . . 4.780 3.841 3.652 4.266 . 0 0 "[ . 1 . 2]" 1 1753 1 84 VAL H 1 94 SER HB2 . . 4.310 2.709 2.614 2.806 . 0 0 "[ . 1 . 2]" 1 1754 1 84 VAL H 1 94 SER HB3 . . 3.990 3.334 3.158 3.498 . 0 0 "[ . 1 . 2]" 1 1755 1 84 VAL H 1 94 SER HG . . 3.700 3.112 2.920 3.350 . 0 0 "[ . 1 . 2]" 1 1756 1 84 VAL H 1 95 PRO HA . . 4.480 4.099 3.953 4.257 . 0 0 "[ . 1 . 2]" 1 1757 1 84 VAL HA 1 84 VAL MG1 . . 3.380 2.329 2.220 2.455 . 0 0 "[ . 1 . 2]" 1 1758 1 84 VAL HA 1 84 VAL MG2 . . 3.590 2.415 2.283 2.584 . 0 0 "[ . 1 . 2]" 1 1759 1 84 VAL HB 1 85 LYS H . . 4.670 4.202 4.085 4.298 . 0 0 "[ . 1 . 2]" 1 1760 1 84 VAL HB 1 91 ILE H . . 4.930 4.085 3.982 4.242 . 0 0 "[ . 1 . 2]" 1 1761 1 84 VAL HB 1 91 ILE MD . . 3.170 2.009 1.893 2.161 . 0 0 "[ . 1 . 2]" 1 1762 1 84 VAL HB 1 91 ILE HG12 . . 3.910 2.111 2.001 2.286 . 0 0 "[ . 1 . 2]" 1 1763 1 84 VAL HB 1 91 ILE HG13 . . 4.180 3.449 3.309 3.628 . 0 0 "[ . 1 . 2]" 1 1764 1 84 VAL HB 1 91 ILE MG . . 3.330 3.106 2.955 3.314 . 0 0 "[ . 1 . 2]" 1 1765 1 84 VAL HB 1 94 SER HB2 . . 4.710 3.525 3.324 3.785 . 0 0 "[ . 1 . 2]" 1 1766 1 84 VAL HB 1 94 SER HB3 . . 4.620 3.895 3.651 4.122 . 0 0 "[ . 1 . 2]" 1 1767 1 84 VAL HB 1 96 PHE QE . . 4.310 4.100 3.760 4.311 0.001 14 0 "[ . 1 . 2]" 1 1768 1 84 VAL MG1 1 85 LYS H . . 3.370 2.605 2.332 2.895 . 0 0 "[ . 1 . 2]" 1 1769 1 84 VAL MG1 1 91 ILE HG12 . . 3.820 2.967 2.679 3.222 . 0 0 "[ . 1 . 2]" 1 1770 1 84 VAL MG1 1 91 ILE HG13 . . 4.410 4.268 4.014 4.409 . 0 0 "[ . 1 . 2]" 1 1771 1 84 VAL MG2 1 91 ILE HG12 . . 4.640 3.753 3.653 3.903 . 0 0 "[ . 1 . 2]" 1 1772 1 84 VAL MG2 1 91 ILE HG13 . . 5.450 4.548 4.250 4.722 . 0 0 "[ . 1 . 2]" 1 1773 1 84 VAL MG2 1 94 SER HB3 . . 5.260 4.596 4.160 4.873 . 0 0 "[ . 1 . 2]" 1 1774 1 84 VAL MG2 1 96 PHE QD . . 3.790 3.603 3.352 3.789 . 0 0 "[ . 1 . 2]" 1 1775 1 84 VAL MG2 1 96 PHE QE . . 4.210 4.066 3.795 4.207 . 0 0 "[ . 1 . 2]" 1 1776 1 85 LYS H 1 85 LYS HB2 . . 3.500 2.421 2.340 2.541 . 0 0 "[ . 1 . 2]" 1 1777 1 85 LYS H 1 85 LYS HB3 . . 3.880 3.639 3.586 3.716 . 0 0 "[ . 1 . 2]" 1 1778 1 85 LYS H 1 85 LYS HG2 . . 4.370 4.102 4.010 4.205 . 0 0 "[ . 1 . 2]" 1 1779 1 85 LYS H 1 85 LYS HG3 . . 3.380 3.162 2.996 3.276 . 0 0 "[ . 1 . 2]" 1 1780 1 85 LYS H 1 86 TRP H . . 4.570 4.522 4.479 4.551 . 0 0 "[ . 1 . 2]" 1 1781 1 85 LYS H 1 91 ILE H . . 5.500 4.982 4.853 5.111 . 0 0 "[ . 1 . 2]" 1 1782 1 85 LYS HA 1 85 LYS QD . . 4.840 4.124 4.099 4.169 . 0 0 "[ . 1 . 2]" 1 1783 1 85 LYS HA 1 85 LYS HE3 . . 4.860 4.252 4.019 4.565 . 0 0 "[ . 1 . 2]" 1 1784 1 85 LYS HA 1 85 LYS HG2 . . 4.220 2.405 2.326 2.499 . 0 0 "[ . 1 . 2]" 1 1785 1 85 LYS HA 1 85 LYS HG3 . . 4.230 2.981 2.891 3.048 . 0 0 "[ . 1 . 2]" 1 1786 1 85 LYS HA 1 86 TRP H . . 2.830 2.310 2.289 2.332 . 0 0 "[ . 1 . 2]" 1 1787 1 85 LYS HA 1 89 GLU H . . 4.910 4.136 4.062 4.243 . 0 0 "[ . 1 . 2]" 1 1788 1 85 LYS HA 1 90 HIS H . . 4.770 4.580 4.480 4.694 . 0 0 "[ . 1 . 2]" 1 1789 1 85 LYS HA 1 90 HIS HA . . 3.750 2.164 2.026 2.311 . 0 0 "[ . 1 . 2]" 1 1790 1 85 LYS HA 1 91 ILE H . . 3.650 2.895 2.732 2.982 . 0 0 "[ . 1 . 2]" 1 1791 1 85 LYS HA 1 91 ILE MG . . 3.960 3.452 3.236 3.574 . 0 0 "[ . 1 . 2]" 1 1792 1 85 LYS HB2 1 85 LYS HD2 . . 4.150 3.591 3.533 3.671 . 0 0 "[ . 1 . 2]" 1 1793 1 85 LYS HB2 1 85 LYS QD . . 3.580 2.389 2.304 2.482 . 0 0 "[ . 1 . 2]" 1 1794 1 85 LYS HB2 1 85 LYS HD3 . . 4.150 2.425 2.335 2.524 . 0 0 "[ . 1 . 2]" 1 1795 1 85 LYS HB2 1 85 LYS HE2 . . 4.670 3.521 3.215 3.675 . 0 0 "[ . 1 . 2]" 1 1796 1 85 LYS HB2 1 85 LYS HE3 . . 4.250 4.201 4.114 4.250 . 11 0 "[ . 1 . 2]" 1 1797 1 85 LYS HB2 1 86 TRP H . . 3.990 3.945 3.856 3.990 . 14 0 "[ . 1 . 2]" 1 1798 1 85 LYS HB2 1 87 GLY H . . 5.500 4.982 4.704 5.233 . 0 0 "[ . 1 . 2]" 1 1799 1 85 LYS HB2 1 88 GLU H . . 5.390 5.110 4.999 5.224 . 0 0 "[ . 1 . 2]" 1 1800 1 85 LYS HB2 1 89 GLU H . . 4.610 4.575 4.520 4.613 0.003 19 0 "[ . 1 . 2]" 1 1801 1 85 LYS HB3 1 85 LYS HD2 . . 4.090 3.712 3.666 3.761 . 0 0 "[ . 1 . 2]" 1 1802 1 85 LYS HB3 1 85 LYS QD . . 3.530 2.643 2.559 2.783 . 0 0 "[ . 1 . 2]" 1 1803 1 85 LYS HB3 1 85 LYS HD3 . . 4.090 2.706 2.612 2.870 . 0 0 "[ . 1 . 2]" 1 1804 1 85 LYS HB3 1 85 LYS HE2 . . 4.290 2.384 2.110 2.535 . 0 0 "[ . 1 . 2]" 1 1805 1 85 LYS HB3 1 85 LYS HE3 . . 3.760 3.154 2.951 3.301 . 0 0 "[ . 1 . 2]" 1 1806 1 85 LYS HB3 1 86 TRP H . . 3.440 2.685 2.623 2.741 . 0 0 "[ . 1 . 2]" 1 1807 1 85 LYS HB3 1 88 GLU H . . 4.840 3.827 3.697 4.001 . 0 0 "[ . 1 . 2]" 1 1808 1 85 LYS HB3 1 89 GLU H . . 4.280 2.825 2.769 2.874 . 0 0 "[ . 1 . 2]" 1 1809 1 85 LYS HB3 1 90 HIS HA . . 4.580 4.185 4.041 4.351 . 0 0 "[ . 1 . 2]" 1 1810 1 85 LYS QD 1 90 HIS HE1 . . 4.850 3.514 3.090 3.815 . 0 0 "[ . 1 . 2]" 1 1811 1 85 LYS HE2 1 85 LYS HG2 . . 4.180 3.007 2.856 3.131 . 0 0 "[ . 1 . 2]" 1 1812 1 85 LYS HE2 1 85 LYS HG3 . . 4.090 3.874 3.741 3.951 . 0 0 "[ . 1 . 2]" 1 1813 1 85 LYS HE2 1 86 TRP H . . 5.200 4.372 4.169 4.592 . 0 0 "[ . 1 . 2]" 1 1814 1 85 LYS HE2 1 88 GLU H . . 5.390 3.488 3.165 3.755 . 0 0 "[ . 1 . 2]" 1 1815 1 85 LYS HE2 1 88 GLU HA . . 4.770 2.773 2.576 3.016 . 0 0 "[ . 1 . 2]" 1 1816 1 85 LYS HE2 1 89 GLU H . . 4.010 2.708 2.378 3.073 . 0 0 "[ . 1 . 2]" 1 1817 1 85 LYS HE2 1 90 HIS HA . . 5.440 5.298 5.141 5.435 . 0 0 "[ . 1 . 2]" 1 1818 1 85 LYS HE2 1 90 HIS HD2 . . 4.370 3.883 3.613 4.307 . 0 0 "[ . 1 . 2]" 1 1819 1 85 LYS HE3 1 85 LYS HG3 . . 4.160 3.505 3.442 3.642 . 0 0 "[ . 1 . 2]" 1 1820 1 85 LYS HE3 1 86 TRP H . . 5.350 4.639 4.280 5.058 . 0 0 "[ . 1 . 2]" 1 1821 1 85 LYS HE3 1 88 GLU HA . . 4.460 3.888 3.623 4.107 . 0 0 "[ . 1 . 2]" 1 1822 1 85 LYS HE3 1 89 GLU H . . 5.030 3.290 2.923 3.842 . 0 0 "[ . 1 . 2]" 1 1823 1 85 LYS HE3 1 89 GLU HA . . 4.900 3.803 3.430 4.324 . 0 0 "[ . 1 . 2]" 1 1824 1 85 LYS HE3 1 90 HIS H . . 5.500 4.909 4.570 5.371 . 0 0 "[ . 1 . 2]" 1 1825 1 85 LYS HE3 1 90 HIS HA . . 4.980 4.416 4.159 4.786 . 0 0 "[ . 1 . 2]" 1 1826 1 85 LYS HG2 1 86 TRP H . . 4.460 3.778 3.671 3.916 . 0 0 "[ . 1 . 2]" 1 1827 1 85 LYS HG2 1 90 HIS H . . 5.020 4.711 4.525 4.895 . 0 0 "[ . 1 . 2]" 1 1828 1 85 LYS HG2 1 90 HIS HA . . 3.880 2.911 2.759 3.003 . 0 0 "[ . 1 . 2]" 1 1829 1 85 LYS HG2 1 91 ILE H . . 4.780 4.710 4.577 4.776 . 0 0 "[ . 1 . 2]" 1 1830 1 85 LYS HG3 1 86 TRP H . . 5.500 4.806 4.750 4.851 . 0 0 "[ . 1 . 2]" 1 1831 1 85 LYS HG3 1 90 HIS HA . . 4.200 4.062 3.885 4.168 . 0 0 "[ . 1 . 2]" 1 1832 1 85 LYS HG3 1 90 HIS HE1 . . 4.160 3.562 3.315 3.836 . 0 0 "[ . 1 . 2]" 1 1833 1 86 TRP H 1 86 TRP HB2 . . 3.630 3.303 3.198 3.384 . 0 0 "[ . 1 . 2]" 1 1834 1 86 TRP H 1 86 TRP QB . . 3.100 2.550 2.507 2.585 . 0 0 "[ . 1 . 2]" 1 1835 1 86 TRP H 1 86 TRP HB3 . . 3.630 2.654 2.612 2.726 . 0 0 "[ . 1 . 2]" 1 1836 1 86 TRP H 1 87 GLY H . . 4.100 3.766 3.665 3.857 . 0 0 "[ . 1 . 2]" 1 1837 1 86 TRP H 1 89 GLU H . . 3.170 2.739 2.628 2.821 . 0 0 "[ . 1 . 2]" 1 1838 1 86 TRP H 1 89 GLU HB2 . . 4.090 2.994 2.909 3.122 . 0 0 "[ . 1 . 2]" 1 1839 1 86 TRP H 1 89 GLU HB3 . . 4.260 3.994 3.846 4.126 . 0 0 "[ . 1 . 2]" 1 1840 1 86 TRP H 1 89 GLU HG3 . . 5.500 4.974 4.805 5.180 . 0 0 "[ . 1 . 2]" 1 1841 1 86 TRP H 1 90 HIS HA . . 4.060 3.289 3.133 3.435 . 0 0 "[ . 1 . 2]" 1 1842 1 86 TRP H 1 91 ILE H . . 4.380 3.724 3.480 3.872 . 0 0 "[ . 1 . 2]" 1 1843 1 86 TRP H 1 91 ILE MG . . 3.890 3.700 3.574 3.844 . 0 0 "[ . 1 . 2]" 1 1844 1 86 TRP HA 1 86 TRP HE3 . . 3.710 2.370 2.112 2.697 . 0 0 "[ . 1 . 2]" 1 1845 1 86 TRP HA 1 87 GLY H . . 2.930 2.245 2.204 2.298 . 0 0 "[ . 1 . 2]" 1 1846 1 86 TRP HA 1 87 GLY HA3 . . 4.710 4.315 4.303 4.325 . 0 0 "[ . 1 . 2]" 1 1847 1 86 TRP QB 1 86 TRP HE1 . . 4.530 4.391 4.378 4.409 . 0 0 "[ . 1 . 2]" 1 1848 1 86 TRP QB 1 89 GLU H . . 5.150 4.504 4.383 4.612 . 0 0 "[ . 1 . 2]" 1 1849 1 86 TRP QB 1 91 ILE MG . . 3.270 2.421 2.293 2.602 . 0 0 "[ . 1 . 2]" 1 1850 1 86 TRP HB2 1 91 ILE MG . . 3.730 2.544 2.388 2.798 . 0 0 "[ . 1 . 2]" 1 1851 1 86 TRP HB3 1 91 ILE MG . . 3.730 3.058 2.828 3.243 . 0 0 "[ . 1 . 2]" 1 1852 1 86 TRP HE3 1 87 GLY H . . 4.210 3.881 3.640 4.199 . 0 0 "[ . 1 . 2]" 1 1853 1 87 GLY H 1 88 GLU H . . 4.120 3.172 3.122 3.299 . 0 0 "[ . 1 . 2]" 1 1854 1 87 GLY HA2 1 88 GLU H . . 2.960 2.438 2.378 2.478 . 0 0 "[ . 1 . 2]" 1 1855 1 87 GLY HA2 1 89 GLU H . . 4.750 4.504 4.308 4.648 . 0 0 "[ . 1 . 2]" 1 1856 1 87 GLY HA3 1 89 GLU H . . 4.950 4.744 4.499 4.898 . 0 0 "[ . 1 . 2]" 1 1857 1 88 GLU H 1 88 GLU HB2 . . 3.460 3.422 3.368 3.464 0.004 16 0 "[ . 1 . 2]" 1 1858 1 88 GLU H 1 88 GLU HG2 . . 3.630 3.399 3.163 3.615 . 0 0 "[ . 1 . 2]" 1 1859 1 88 GLU H 1 88 GLU QG . . 3.110 2.939 2.772 3.031 . 0 0 "[ . 1 . 2]" 1 1860 1 88 GLU H 1 88 GLU HG3 . . 3.630 3.241 2.885 3.404 . 0 0 "[ . 1 . 2]" 1 1861 1 88 GLU H 1 89 GLU H . . 3.210 2.755 2.682 2.839 . 0 0 "[ . 1 . 2]" 1 1862 1 88 GLU H 1 89 GLU HG3 . . 5.500 4.860 4.649 5.142 . 0 0 "[ . 1 . 2]" 1 1863 1 88 GLU HA 1 88 GLU HG2 . . 3.730 2.308 2.216 2.492 . 0 0 "[ . 1 . 2]" 1 1864 1 88 GLU HA 1 88 GLU QG . . 3.140 2.254 2.178 2.376 . 0 0 "[ . 1 . 2]" 1 1865 1 88 GLU HA 1 88 GLU HG3 . . 3.730 3.187 2.996 3.342 . 0 0 "[ . 1 . 2]" 1 1866 1 88 GLU HB2 1 89 GLU H . . 4.360 4.305 4.191 4.365 0.005 19 0 "[ . 1 . 2]" 1 1867 1 88 GLU HB2 1 89 GLU HG2 . . 4.720 4.597 4.401 4.713 . 0 0 "[ . 1 . 2]" 1 1868 1 88 GLU HB2 1 89 GLU HG3 . . 4.550 3.663 3.521 3.778 . 0 0 "[ . 1 . 2]" 1 1869 1 89 GLU H 1 89 GLU HB2 . . 3.180 2.934 2.854 2.981 . 0 0 "[ . 1 . 2]" 1 1870 1 89 GLU H 1 89 GLU HB3 . . 3.990 3.930 3.892 3.958 . 0 0 "[ . 1 . 2]" 1 1871 1 89 GLU H 1 89 GLU HG2 . . 4.240 4.101 4.005 4.189 . 0 0 "[ . 1 . 2]" 1 1872 1 89 GLU H 1 89 GLU HG3 . . 3.920 3.605 3.377 3.860 . 0 0 "[ . 1 . 2]" 1 1873 1 89 GLU HA 1 89 GLU HG2 . . 3.660 2.361 2.254 2.453 . 0 0 "[ . 1 . 2]" 1 1874 1 89 GLU HA 1 89 GLU HG3 . . 3.670 3.260 3.208 3.303 . 0 0 "[ . 1 . 2]" 1 1875 1 89 GLU HA 1 90 HIS H . . 2.670 2.555 2.488 2.603 . 0 0 "[ . 1 . 2]" 1 1876 1 89 GLU HA 1 90 HIS HD2 . . 4.630 3.177 3.097 3.299 . 0 0 "[ . 1 . 2]" 1 1877 1 89 GLU HB2 1 90 HIS H . . 3.640 3.395 3.257 3.552 . 0 0 "[ . 1 . 2]" 1 1878 1 89 GLU HB3 1 90 HIS H . . 3.750 2.108 2.009 2.233 . 0 0 "[ . 1 . 2]" 1 1879 1 89 GLU HG2 1 90 HIS H . . 4.140 3.938 3.797 4.045 . 0 0 "[ . 1 . 2]" 1 1880 1 89 GLU HG3 1 90 HIS H . . 5.500 4.766 4.676 4.822 . 0 0 "[ . 1 . 2]" 1 1881 1 90 HIS H 1 90 HIS HB2 . . 2.930 2.566 2.510 2.611 . 0 0 "[ . 1 . 2]" 1 1882 1 90 HIS H 1 90 HIS HB3 . . 3.900 3.700 3.669 3.728 . 0 0 "[ . 1 . 2]" 1 1883 1 90 HIS H 1 90 HIS HD2 . . 3.610 3.452 3.379 3.573 . 0 0 "[ . 1 . 2]" 1 1884 1 90 HIS H 1 91 ILE H . . 4.600 4.125 4.028 4.204 . 0 0 "[ . 1 . 2]" 1 1885 1 90 HIS H 1 91 ILE MG . . 5.490 5.145 5.009 5.200 . 0 0 "[ . 1 . 2]" 1 1886 1 90 HIS HA 1 91 ILE H . . 2.880 2.145 2.139 2.161 . 0 0 "[ . 1 . 2]" 1 1887 1 90 HIS HA 1 91 ILE HG12 . . 4.480 4.037 3.917 4.231 . 0 0 "[ . 1 . 2]" 1 1888 1 90 HIS HA 1 91 ILE MG . . 3.730 3.667 3.592 3.719 . 0 0 "[ . 1 . 2]" 1 1889 1 90 HIS HA 1 94 SER HG . . 4.760 4.509 4.291 4.725 . 0 0 "[ . 1 . 2]" 1 1890 1 90 HIS HB2 1 90 HIS HD2 . . 3.780 3.017 2.922 3.079 . 0 0 "[ . 1 . 2]" 1 1891 1 90 HIS HB2 1 91 ILE H . . 4.490 4.481 4.444 4.518 0.028 13 0 "[ . 1 . 2]" 1 1892 1 90 HIS HB2 1 94 SER HB3 . . 5.300 5.251 5.103 5.300 0.000 15 0 "[ . 1 . 2]" 1 1893 1 90 HIS HB2 1 94 SER HG . . 5.040 4.787 4.604 4.902 . 0 0 "[ . 1 . 2]" 1 1894 1 90 HIS HB3 1 91 ILE H . . 3.950 3.644 3.551 3.766 . 0 0 "[ . 1 . 2]" 1 1895 1 90 HIS HB3 1 94 SER H . . 4.730 4.494 4.424 4.629 . 0 0 "[ . 1 . 2]" 1 1896 1 90 HIS HB3 1 94 SER HB2 . . 5.290 5.121 4.961 5.184 . 0 0 "[ . 1 . 2]" 1 1897 1 90 HIS HB3 1 94 SER HB3 . . 4.290 3.508 3.370 3.557 . 0 0 "[ . 1 . 2]" 1 1898 1 90 HIS HB3 1 94 SER HG . . 4.540 3.153 2.978 3.300 . 0 0 "[ . 1 . 2]" 1 1899 1 90 HIS HE1 1 94 SER HG . . 4.190 4.105 3.946 4.193 0.003 13 0 "[ . 1 . 2]" 1 1900 1 90 HIS HE1 1 95 PRO HD3 . . 5.380 5.218 4.912 5.380 . 17 0 "[ . 1 . 2]" 1 1901 1 91 ILE H 1 91 ILE HB . . 3.950 3.618 3.610 3.628 . 0 0 "[ . 1 . 2]" 1 1902 1 91 ILE H 1 91 ILE MD . . 4.100 3.886 3.794 4.018 . 0 0 "[ . 1 . 2]" 1 1903 1 91 ILE H 1 91 ILE HG12 . . 3.410 2.401 2.311 2.577 . 0 0 "[ . 1 . 2]" 1 1904 1 91 ILE H 1 91 ILE HG13 . . 3.740 3.279 3.116 3.405 . 0 0 "[ . 1 . 2]" 1 1905 1 91 ILE H 1 91 ILE MG . . 3.050 1.910 1.888 1.955 . 0 0 "[ . 1 . 2]" 1 1906 1 91 ILE H 1 94 SER H . . 5.280 5.184 5.073 5.279 . 0 0 "[ . 1 . 2]" 1 1907 1 91 ILE H 1 94 SER HB2 . . 5.500 5.284 5.132 5.445 . 0 0 "[ . 1 . 2]" 1 1908 1 91 ILE H 1 94 SER HB3 . . 4.250 4.040 3.876 4.149 . 0 0 "[ . 1 . 2]" 1 1909 1 91 ILE H 1 94 SER HG . . 5.230 4.936 4.739 5.089 . 0 0 "[ . 1 . 2]" 1 1910 1 91 ILE HA 1 91 ILE MG . . 3.440 2.410 2.353 2.445 . 0 0 "[ . 1 . 2]" 1 1911 1 91 ILE HA 1 92 PRO HD2 . . 3.700 2.348 2.327 2.364 . 0 0 "[ . 1 . 2]" 1 1912 1 91 ILE HA 1 92 PRO HD3 . . 3.800 2.281 2.274 2.286 . 0 0 "[ . 1 . 2]" 1 1913 1 91 ILE HA 1 92 PRO HG2 . . 4.610 4.470 4.453 4.483 . 0 0 "[ . 1 . 2]" 1 1914 1 91 ILE HA 1 92 PRO HG3 . . 4.610 4.442 4.430 4.450 . 0 0 "[ . 1 . 2]" 1 1915 1 91 ILE HB 1 91 ILE MD . . 3.660 2.337 2.213 2.387 . 0 0 "[ . 1 . 2]" 1 1916 1 91 ILE HB 1 92 PRO HD2 . . 3.950 2.027 1.998 2.076 . 0 0 "[ . 1 . 2]" 1 1917 1 91 ILE HB 1 92 PRO HD3 . . 3.740 3.471 3.443 3.515 . 0 0 "[ . 1 . 2]" 1 1918 1 91 ILE HB 1 94 SER H . . 5.420 4.965 4.791 5.200 . 0 0 "[ . 1 . 2]" 1 1919 1 91 ILE HB 1 96 PHE QE . . 5.110 4.265 4.064 4.652 . 0 0 "[ . 1 . 2]" 1 1920 1 91 ILE MD 1 94 SER H . . 4.390 3.906 3.570 4.062 . 0 0 "[ . 1 . 2]" 1 1921 1 91 ILE MD 1 94 SER HB2 . . 4.320 3.142 2.910 3.716 . 0 0 "[ . 1 . 2]" 1 1922 1 91 ILE MD 1 94 SER HB3 . . 4.150 3.474 3.287 3.793 . 0 0 "[ . 1 . 2]" 1 1923 1 91 ILE MD 1 96 PHE QD . . 4.270 3.185 2.882 3.651 . 0 0 "[ . 1 . 2]" 1 1924 1 91 ILE MD 1 96 PHE QE . . 3.550 1.916 1.813 2.230 . 0 0 "[ . 1 . 2]" 1 1925 1 91 ILE MD 1 96 PHE HZ . . 3.740 3.120 2.245 3.467 . 0 0 "[ . 1 . 2]" 1 1926 1 91 ILE HG12 1 91 ILE MG . . 3.420 2.317 2.250 2.365 . 0 0 "[ . 1 . 2]" 1 1927 1 91 ILE HG12 1 94 SER H . . 4.480 4.202 4.024 4.396 . 0 0 "[ . 1 . 2]" 1 1928 1 91 ILE HG12 1 94 SER HB2 . . 4.820 3.525 3.348 3.875 . 0 0 "[ . 1 . 2]" 1 1929 1 91 ILE HG12 1 94 SER HB3 . . 4.580 2.936 2.724 3.206 . 0 0 "[ . 1 . 2]" 1 1930 1 91 ILE HG13 1 91 ILE MG . . 3.500 3.185 3.158 3.201 . 0 0 "[ . 1 . 2]" 1 1931 1 91 ILE HG13 1 92 PRO HD2 . . 4.010 3.999 3.936 4.012 0.002 8 0 "[ . 1 . 2]" 1 1932 1 91 ILE HG13 1 92 PRO HD3 . . 5.090 4.951 4.897 4.990 . 0 0 "[ . 1 . 2]" 1 1933 1 91 ILE HG13 1 94 SER H . . 3.800 2.794 2.566 3.013 . 0 0 "[ . 1 . 2]" 1 1934 1 91 ILE HG13 1 94 SER HB2 . . 4.420 3.343 3.103 3.731 . 0 0 "[ . 1 . 2]" 1 1935 1 91 ILE HG13 1 94 SER HB3 . . 4.620 2.545 2.313 2.888 . 0 0 "[ . 1 . 2]" 1 1936 1 91 ILE HG13 1 96 PHE QD . . 4.470 4.299 4.135 4.454 . 0 0 "[ . 1 . 2]" 1 1937 1 91 ILE HG13 1 96 PHE QE . . 4.860 2.648 2.296 3.002 . 0 0 "[ . 1 . 2]" 1 1938 1 91 ILE HG13 1 96 PHE HZ . . 4.980 4.433 3.885 4.899 . 0 0 "[ . 1 . 2]" 1 1939 1 91 ILE MG 1 92 PRO HD2 . . 4.240 3.172 3.110 3.218 . 0 0 "[ . 1 . 2]" 1 1940 1 91 ILE MG 1 92 PRO HD3 . . 4.060 3.942 3.875 4.007 . 0 0 "[ . 1 . 2]" 1 1941 1 92 PRO HA 1 93 GLY H . . 2.630 2.254 2.198 2.290 . 0 0 "[ . 1 . 2]" 1 1942 1 92 PRO HA 1 93 GLY QA . . 4.350 3.909 3.904 3.914 . 0 0 "[ . 1 . 2]" 1 1943 1 92 PRO HA 1 94 SER H . . 3.970 3.823 3.710 3.932 . 0 0 "[ . 1 . 2]" 1 1944 1 92 PRO QB 1 93 GLY H . . 3.800 3.748 3.647 3.801 0.001 20 0 "[ . 1 . 2]" 1 1945 1 92 PRO HB2 1 93 GLY H . . 4.460 4.066 3.944 4.130 . 0 0 "[ . 1 . 2]" 1 1946 1 92 PRO HB3 1 93 GLY H . . 4.460 4.392 4.296 4.443 . 0 0 "[ . 1 . 2]" 1 1947 1 93 GLY H 1 94 SER H . . 3.120 1.968 1.847 2.226 . 0 0 "[ . 1 . 2]" 1 1948 1 93 GLY H 1 94 SER HA . . 5.090 4.561 4.473 4.694 . 0 0 "[ . 1 . 2]" 1 1949 1 93 GLY H 1 94 SER HB2 . . 5.500 5.163 5.070 5.343 . 0 0 "[ . 1 . 2]" 1 1950 1 93 GLY H 1 94 SER HB3 . . 5.320 4.095 4.004 4.253 . 0 0 "[ . 1 . 2]" 1 1951 1 93 GLY H 1 96 PHE HZ . . 5.410 4.995 4.627 5.331 . 0 0 "[ . 1 . 2]" 1 1952 1 93 GLY QA 1 96 PHE QE . . 3.780 2.861 2.437 3.030 . 0 0 "[ . 1 . 2]" 1 1953 1 93 GLY QA 1 96 PHE HZ . . 3.920 2.382 2.170 2.748 . 0 0 "[ . 1 . 2]" 1 1954 1 93 GLY HA2 1 96 PHE QE . . 4.410 4.116 3.820 4.367 . 0 0 "[ . 1 . 2]" 1 1955 1 93 GLY HA2 1 96 PHE HZ . . 4.560 4.075 3.803 4.486 . 0 0 "[ . 1 . 2]" 1 1956 1 93 GLY HA3 1 96 PHE QE . . 4.410 2.920 2.466 3.090 . 0 0 "[ . 1 . 2]" 1 1957 1 93 GLY HA3 1 96 PHE HZ . . 4.560 2.398 2.181 2.773 . 0 0 "[ . 1 . 2]" 1 1958 1 94 SER H 1 94 SER HB2 . . 3.230 3.204 3.108 3.246 0.016 17 0 "[ . 1 . 2]" 1 1959 1 94 SER H 1 94 SER HB3 . . 3.270 2.265 2.214 2.321 . 0 0 "[ . 1 . 2]" 1 1960 1 94 SER H 1 94 SER HG . . 4.160 3.938 3.893 3.995 . 0 0 "[ . 1 . 2]" 1 1961 1 94 SER H 1 95 PRO HA . . 4.910 4.773 4.763 4.783 . 0 0 "[ . 1 . 2]" 1 1962 1 94 SER H 1 96 PHE QD . . 4.560 4.063 3.739 4.375 . 0 0 "[ . 1 . 2]" 1 1963 1 94 SER H 1 96 PHE QE . . 4.210 3.243 2.652 3.754 . 0 0 "[ . 1 . 2]" 1 1964 1 94 SER H 1 96 PHE HZ . . 5.030 4.622 4.085 4.963 . 0 0 "[ . 1 . 2]" 1 1965 1 94 SER HA 1 95 PRO HA . . 3.440 2.352 2.322 2.369 . 0 0 "[ . 1 . 2]" 1 1966 1 94 SER HA 1 95 PRO HB2 . . 4.520 4.378 4.361 4.387 . 0 0 "[ . 1 . 2]" 1 1967 1 94 SER HA 1 95 PRO HB3 . . 4.520 4.463 4.439 4.477 . 0 0 "[ . 1 . 2]" 1 1968 1 94 SER HA 1 95 PRO HD3 . . 4.800 4.620 4.609 4.626 . 0 0 "[ . 1 . 2]" 1 1969 1 94 SER HA 1 96 PHE H . . 3.520 2.450 2.284 2.722 . 0 0 "[ . 1 . 2]" 1 1970 1 94 SER HA 1 96 PHE HB2 . . 5.100 3.968 3.852 4.093 . 0 0 "[ . 1 . 2]" 1 1971 1 94 SER HA 1 96 PHE QD . . 4.030 2.548 2.123 2.953 . 0 0 "[ . 1 . 2]" 1 1972 1 94 SER HA 1 96 PHE QE . . 4.450 3.713 3.216 4.036 . 0 0 "[ . 1 . 2]" 1 1973 1 94 SER HB2 1 95 PRO HA . . 5.000 2.872 2.817 2.974 . 0 0 "[ . 1 . 2]" 1 1974 1 94 SER HB2 1 96 PHE HB2 . . 4.560 4.291 4.156 4.432 . 0 0 "[ . 1 . 2]" 1 1975 1 94 SER HB2 1 96 PHE QD . . 5.150 2.221 1.996 2.488 . 0 0 "[ . 1 . 2]" 1 1976 1 94 SER HB2 1 96 PHE QE . . 4.820 3.088 2.496 3.553 . 0 0 "[ . 1 . 2]" 1 1977 1 94 SER HB3 1 95 PRO HA . . 4.760 3.764 3.747 3.793 . 0 0 "[ . 1 . 2]" 1 1978 1 94 SER HB3 1 96 PHE QD . . 4.550 3.707 3.522 3.961 . 0 0 "[ . 1 . 2]" 1 1979 1 94 SER HB3 1 96 PHE QE . . 4.300 3.561 2.901 4.019 . 0 0 "[ . 1 . 2]" 1 1980 1 94 SER HG 1 95 PRO HA . . 4.310 3.055 3.012 3.114 . 0 0 "[ . 1 . 2]" 1 1981 1 95 PRO HA 1 96 PHE H . . 2.980 2.165 2.152 2.202 . 0 0 "[ . 1 . 2]" 1 1982 1 95 PRO HA 1 96 PHE HA . . 4.870 4.377 4.369 4.387 . 0 0 "[ . 1 . 2]" 1 1983 1 95 PRO HA 1 96 PHE HB2 . . 4.810 4.370 4.313 4.457 . 0 0 "[ . 1 . 2]" 1 1984 1 95 PRO HA 1 96 PHE QD . . 4.320 3.707 3.250 4.052 . 0 0 "[ . 1 . 2]" 1 1985 1 95 PRO QB 1 96 PHE H . . 3.680 3.237 3.059 3.336 . 0 0 "[ . 1 . 2]" 1 1986 1 95 PRO HB2 1 96 PHE H . . 4.190 3.442 3.225 3.563 . 0 0 "[ . 1 . 2]" 1 1987 1 95 PRO HB3 1 96 PHE H . . 4.190 3.940 3.801 4.020 . 0 0 "[ . 1 . 2]" 1 1988 1 96 PHE H 1 96 PHE HB2 . . 3.510 2.250 2.199 2.331 . 0 0 "[ . 1 . 2]" 1 1989 1 96 PHE H 1 96 PHE HB3 . . 3.870 3.536 3.499 3.586 . 0 0 "[ . 1 . 2]" 1 1990 1 96 PHE H 1 96 PHE QD . . 3.250 2.511 2.237 2.813 . 0 0 "[ . 1 . 2]" 1 1991 1 96 PHE H 1 96 PHE QE . . 5.070 4.729 4.526 4.942 . 0 0 "[ . 1 . 2]" 1 1992 1 96 PHE H 1 97 HIS H . . 4.740 4.604 4.556 4.628 . 0 0 "[ . 1 . 2]" 1 1993 1 96 PHE HA 1 96 PHE QD . . 3.800 3.005 2.875 3.107 . 0 0 "[ . 1 . 2]" 1 1994 1 96 PHE HA 1 97 HIS H . . 2.700 2.296 2.178 2.413 . 0 0 "[ . 1 . 2]" 1 1995 1 96 PHE HA 1 97 HIS HB2 . . 4.740 4.477 4.373 4.554 . 0 0 "[ . 1 . 2]" 1 1996 1 96 PHE HA 1 97 HIS HB3 . . 4.740 4.583 4.495 4.708 . 0 0 "[ . 1 . 2]" 1 1997 1 96 PHE HB2 1 97 HIS H . . 4.320 4.023 3.826 4.278 . 0 0 "[ . 1 . 2]" 1 1998 1 96 PHE HB2 1 98 VAL MG2 . . 3.960 3.542 3.373 3.710 . 0 0 "[ . 1 . 2]" 1 1999 1 96 PHE HB3 1 97 HIS H . . 3.270 2.761 2.449 3.182 . 0 0 "[ . 1 . 2]" 1 2000 1 96 PHE HB3 1 98 VAL MG2 . . 4.050 3.076 2.878 3.220 . 0 0 "[ . 1 . 2]" 1 2001 1 96 PHE QD 1 97 HIS H . . 3.930 3.439 3.126 3.907 . 0 0 "[ . 1 . 2]" 1 2002 1 96 PHE QD 1 98 VAL MG2 . . 4.600 4.412 4.175 4.596 . 0 0 "[ . 1 . 2]" 1 2003 1 97 HIS H 1 97 HIS HB2 . . 3.550 2.937 2.812 3.082 . 0 0 "[ . 1 . 2]" 1 2004 1 97 HIS H 1 97 HIS QB . . 2.950 2.356 2.308 2.442 . 0 0 "[ . 1 . 2]" 1 2005 1 97 HIS H 1 97 HIS HB3 . . 3.550 2.483 2.420 2.580 . 0 0 "[ . 1 . 2]" 1 2006 1 97 HIS H 1 97 HIS HD2 . . 5.230 5.113 5.010 5.198 . 0 0 "[ . 1 . 2]" 1 2007 1 97 HIS H 1 98 VAL H . . 4.530 4.168 4.077 4.395 . 0 0 "[ . 1 . 2]" 1 2008 1 97 HIS H 1 98 VAL MG2 . . 4.330 4.157 3.874 4.328 . 0 0 "[ . 1 . 2]" 1 2009 1 97 HIS HA 1 97 HIS HD2 . . 4.190 2.548 2.399 2.677 . 0 0 "[ . 1 . 2]" 1 2010 1 97 HIS HA 1 98 VAL H . . 2.750 2.180 2.140 2.205 . 0 0 "[ . 1 . 2]" 1 2011 1 97 HIS HA 1 98 VAL HA . . 4.890 4.418 4.395 4.442 . 0 0 "[ . 1 . 2]" 1 2012 1 97 HIS HA 1 98 VAL HB . . 4.730 4.656 4.549 4.731 0.001 3 0 "[ . 1 . 2]" 1 2013 1 97 HIS HB2 1 98 VAL H . . 4.600 4.442 4.299 4.497 . 0 0 "[ . 1 . 2]" 1 2014 1 97 HIS HB3 1 98 VAL H . . 4.600 4.448 4.305 4.506 . 0 0 "[ . 1 . 2]" 1 2015 1 97 HIS HD2 1 98 VAL H . . 4.380 3.159 2.883 3.508 . 0 0 "[ . 1 . 2]" 1 2016 1 98 VAL H 1 98 VAL HB . . 3.170 2.510 2.387 2.594 . 0 0 "[ . 1 . 2]" 1 2017 1 98 VAL H 1 98 VAL MG1 . . 4.130 3.790 3.732 3.822 . 0 0 "[ . 1 . 2]" 1 2018 1 98 VAL H 1 98 VAL MG2 . . 3.400 2.645 2.461 2.856 . 0 0 "[ . 1 . 2]" 1 2019 1 98 VAL H 1 99 THR H . . 4.830 4.347 4.233 4.468 . 0 0 "[ . 1 . 2]" 1 2020 1 98 VAL HA 1 98 VAL MG1 . . 3.280 2.436 2.325 2.497 . 0 0 "[ . 1 . 2]" 1 2021 1 98 VAL HA 1 98 VAL MG2 . . 3.240 2.322 2.231 2.429 . 0 0 "[ . 1 . 2]" 1 2022 1 98 VAL HA 1 99 THR H . . 2.720 2.146 2.139 2.165 . 0 0 "[ . 1 . 2]" 1 2023 1 98 VAL HA 1 99 THR HB . . 4.660 4.644 4.605 4.661 0.001 1 0 "[ . 1 . 2]" 1 2024 1 98 VAL HB 1 99 THR H . . 4.640 4.315 4.150 4.424 . 0 0 "[ . 1 . 2]" 1 2025 1 98 VAL HB 1 100 VAL MG2 . . 4.430 4.326 4.113 4.431 0.001 18 0 "[ . 1 . 2]" 1 2026 1 98 VAL MG1 1 99 THR H . . 3.270 2.725 2.405 3.132 . 0 0 "[ . 1 . 2]" 1 2027 1 98 VAL MG1 1 99 THR HB . . 4.950 4.646 4.451 4.834 . 0 0 "[ . 1 . 2]" 1 2028 1 98 VAL MG1 1 100 VAL H . . 4.810 4.258 4.034 4.755 . 0 0 "[ . 1 . 2]" 1 2029 1 98 VAL MG1 1 100 VAL MG2 . . 3.110 2.584 2.319 2.868 . 0 0 "[ . 1 . 2]" 1 2030 1 98 VAL MG2 1 99 THR H . . 4.120 4.039 3.896 4.120 0.000 18 0 "[ . 1 . 2]" 1 2031 1 99 THR H 1 99 THR HB . . 3.130 2.561 2.507 2.639 . 0 0 "[ . 1 . 2]" 1 2032 1 99 THR H 1 99 THR MG . . 3.980 3.821 3.791 3.856 . 0 0 "[ . 1 . 2]" 1 2033 1 99 THR H 1 100 VAL H . . 4.840 4.458 4.380 4.568 . 0 0 "[ . 1 . 2]" 1 2034 1 99 THR HA 1 99 THR MG . . 3.120 2.368 2.293 2.460 . 0 0 "[ . 1 . 2]" 1 2035 1 99 THR HA 1 100 VAL H . . 2.990 2.171 2.146 2.277 . 0 0 "[ . 1 . 2]" 1 2036 1 99 THR HB 1 100 VAL H . . 4.210 4.125 3.846 4.209 . 0 0 "[ . 1 . 2]" 1 2037 1 99 THR MG 1 100 VAL H . . 3.590 2.389 1.985 2.691 . 0 0 "[ . 1 . 2]" 1 2038 1 99 THR MG 1 101 PRO HA . . 4.390 4.035 3.869 4.200 . 0 0 "[ . 1 . 2]" 1 2039 1 100 VAL H 1 100 VAL HB . . 3.280 2.608 2.516 2.749 . 0 0 "[ . 1 . 2]" 1 2040 1 100 VAL H 1 100 VAL MG1 . . 4.190 3.832 3.788 3.895 . 0 0 "[ . 1 . 2]" 1 2041 1 100 VAL H 1 100 VAL MG2 . . 3.460 2.720 2.347 2.994 . 0 0 "[ . 1 . 2]" 1 2042 1 100 VAL H 1 101 PRO HD2 . . 5.470 4.798 4.728 4.840 . 0 0 "[ . 1 . 2]" 1 2043 1 100 VAL H 1 101 PRO QD . . 4.730 4.209 4.074 4.313 . 0 0 "[ . 1 . 2]" 1 2044 1 100 VAL H 1 101 PRO HD3 . . 5.470 4.660 4.447 4.843 . 0 0 "[ . 1 . 2]" 1 2045 1 100 VAL HA 1 100 VAL MG1 . . 3.460 2.387 2.204 2.495 . 0 0 "[ . 1 . 2]" 1 2046 1 100 VAL HA 1 100 VAL MG2 . . 3.430 2.359 2.215 2.492 . 0 0 "[ . 1 . 2]" 1 2047 1 100 VAL HA 1 101 PRO HD2 . . 3.340 2.048 1.967 2.163 . 0 0 "[ . 1 . 2]" 1 2048 1 100 VAL HA 1 101 PRO HD3 . . 3.340 2.284 2.252 2.335 . 0 0 "[ . 1 . 2]" 1 2049 1 100 VAL HA 1 101 PRO HG2 . . 4.460 4.232 4.167 4.322 . 0 0 "[ . 1 . 2]" 1 2050 1 100 VAL HA 1 101 PRO QG . . 3.880 3.809 3.776 3.864 . 0 0 "[ . 1 . 2]" 1 2051 1 100 VAL HA 1 101 PRO HG3 . . 4.460 4.324 4.315 4.353 . 0 0 "[ . 1 . 2]" 1 2052 1 100 VAL MG1 1 101 PRO HD2 . . 3.950 2.010 1.812 2.480 . 0 0 "[ . 1 . 2]" 1 2053 1 100 VAL MG1 1 101 PRO QD . . 3.420 1.995 1.802 2.445 . 0 0 "[ . 1 . 2]" 1 2054 1 100 VAL MG1 1 101 PRO HD3 . . 3.950 3.391 3.152 3.703 . 0 0 "[ . 1 . 2]" 1 2055 1 100 VAL MG2 1 101 PRO HD2 . . 4.490 3.510 3.322 3.726 . 0 0 "[ . 1 . 2]" 1 2056 1 100 VAL MG2 1 101 PRO QD . . 3.890 3.346 3.179 3.534 . 0 0 "[ . 1 . 2]" 1 2057 1 100 VAL MG2 1 101 PRO HD3 . . 4.490 4.218 4.054 4.388 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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